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Physics Condensed Matter

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Wednesday 6 May

Superconductivity

Superconductivity in moiré transition metal dichalcogenide bilayers: comparison of two distinct theoretical approaches

Superconductivity has recently been observed in moiré transition-metal dichalcogenide bilayers. Here, we investigate the superconducting state in twisted WSe$_2$ using two complementary theoretical approaches. The first is based on the negative $U$-Hubbard model and represents a relatively conventional pairing scenario, in which strong electron-electron repulsion does not directly affect the paired state and an isotropic $s$-$wave$ gap emerges. The second approach employs the $t$-$J$-$U$ model, allowing for unconventional gap symmetries and incorporating strong correlation effects via substantial renormalization induced by Coulomb repulsion. We compare the key properties of the superconducting states obtained within these two frameworks and discuss their implications in light of available experimental observations.
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Statistical Mechanics · Cross-listed from quant-ph

Finite steps optimise dissipation in stochastically controlled quantum systems

Motivated by the need for precise, energy-efficient, and experimentally realistic quantum control protocols, we investigate the thermodynamic cost of performing quantum step-equilibration processes under the influence of classical stochastic control fields. Whereas purely deterministic protocols exhibit dissipation that scales inversely with the number of steps, we show that weak Gaussian noise in the control variables induces dissipative contributions that grow linearly with the number of steps. Consequently, we derive the finite optimal number of steps and minimal achievable average dissipated work and its variance using the quantum thermodynamic length. These results are demonstrated using two paradigmatic examples: a Landau-Zener sweep of a qubit strongly coupled to a thermal bath and the erasure of a transverse-field Ising model.
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Materials Science

Dynamical pseudopotentials

Pseudopotential theory has greatly driven first-principles calculations in materials, replacing the explicit treatment of the chemically inert core electrons with an effective potential acting only on the valence states. This is inherently an embedding problem, where tracing out the core electrons can be formulated in terms of a dynamical embedding potential. Motivated by this perspective, we first introduce a framework for dynamical (i.e., energy-dependent) pseudopotentials, showing how this leads to generalized norm-conservation conditions. Then, adopting a sum-over-poles representation, we disentangle the number of reference energies from the number of projectors; this allows to reproduce all-electron scattering at many reference energies with great accuracy and over very extended energy ranges. We further show that these pseudopotentials enter naturally into many-body total energy functionals, leading for the first time to a consistent and unified treatment of the all-electron atom, the pseudo-atom, and the solid within the same electronic-structure theory.
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Materials Science

Plastic Deformation of B19' Martensite: Where it Matters in NiTi Technology

Nitinol technology, besides utilizing the functional thermomechanical properties derived from the B2 cubic to B19' monoclinic martensitic transformation, also exploits the excellent plastic deformability of NiTi in the martensite state. It originates from the unique mechanism of plastic deformation of the B19' martensite by kwinking involving dislocation slip based kinking assisted by deformation twinning. Although the mechanism of plastic deformation of martensite by kwinking was revealed only very recently, various unusual phenomena that can only be rationalized by kwinking, have been reported in literature in the last 50 years. These phenomena include: 1) cold working with a high degree of reduction without introducing cracks, 2) excellent plastic deformability in the martensite state (plastic deformation up to~80% strain at stresses >1GPa), 3) refinement of austenitic microstructure to a quasi-amorphous state by tensile deformation, 4) observation of high density of {114} deformation bands in austenitic microstructures, 5) systematic ruptures of strengthened NiTi wires in tensile tests via necking at the onset of plastic yielding, 6) localized plastic deformation in tensile tests via propagation of Lüders band fronts with very large localized strain (~40%), 7) unusually long upper stress plateaus in superelastic tensile tests (>8% strain), 8) large plastic strains (> 20 %) generated in a single closed-loop cooling/heating cycle under constant stress, 9) shape setting of already annealed NiTi by heating under external constraint. Finally, we discuss how kwinking deformation was considered in constitutive modelling of thermomechanical behaviors of NiTi and, particularly, what is the role of the kwinking deformation in NiTi technology.
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All authors Petr Šittner, Hanuš. Seiner, Petr Sedlák, Orsolya. Molnárová, Lukáš Kadeřávek, Ondřej Tyc, Elizaveta Iaparova, Luděk Heller

Materials Science

Effective long-range attraction of moiré excitons under the influence of atomic reconstructions and anisotropic screening

The moiré pattern, which emerges due to a relative rotation between two monolayers of transition metal dichalcogenides, features a long lattice period for small twist angles. The resulting band structure modulation acts as an effective potential for interlayer excitons (IXs), which can realize correlated many-body phenomena. Here, we aim for a material-realistic modelling of the exciton-exciton interaction, taking into account lattice reconstructions and an exciton-exciton potential that incorporates the highly anisotropic screening imposed by the two-dimensional bilayer and the dielectric background. We find strong modifications of the on-site interaction induced by the change of the moiré potential during lattice reconstructions, while for long-range interactions on the length scale of the moiré period, anisotropic dielectric screening leads to a crossover from a repulsive to an attractive interaction. The interaction potential and hopping amplitudes serve as parameters for a Bose-Hubbard model on the moiré lattice, which we use to explain correlated behavior of interlayer excitons.
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All authors Nils-Erik Schütte, Carl Emil Mørch Nielsen, Niclas Götting, Alexander Steinhoff, Gabriel Bester, Christopher Gies

Mesoscale and Nanoscale Physics

Quantum Coherence Reshapes Thermodynamic Bounds for Thermal Machines

Thermodynamic Uncertainty Relations (TURs) set universal bounds linking current fluctuations to entropy production in nonequilibrium steady states. Their multidimensional generalization (MTUR) introduces matrix inequalities connecting current covariances and mean values. We analyze these bounds in a paradigmatic quantum thermal device, a two-terminal conductor, operating as a heat engine, refrigerator, or heat pump. We show that classical performance limits on efficiency and coefficient of performance remain constrained by the TUR when finite power or heat flow from cold to hot reservoirs is maintained, even in regimes dominated by coherent transport. We further identify the conditions that optimize TUR and MTUR violations, demonstrating that cross-correlations can enhance the joint precision of charge and heat currents near the linear-response regime.
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Disordered Systems and Neural Networks · Cross-listed from quant-ph

Neural network modeling of many-body super- and sub-radiant dynamics

There is significant interest in exploring novel phenomena in quantum light-matter interfaces, which are driven by the combination of structured dissipation and long-range interactions that are typical in such systems. To this end, it is important to develop new general numerical simulation techniques, which can access large system sizes and are not based on semi-classical approaches. Here, we report the first application of neural quantum states to obtain the dissipative dynamics of light-matter-coupled systems beyond what is accessible with exact and tensor-network calculations. We specifically apply this method to simulate the many-body emission dynamics of approximately 40 atoms, arranged in dense arrays in one and two dimensions. These systems have been chosen because they can support prominent subradiant dynamics at late times and could be realized with cold atomic quantum simulators.
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All authors Gianluca Lagnese, Laurin Brunner, Lorenzo Rossi, Darrick Chang, Markus Schmitt, Zala Lenarčič

Materials Science

Dielectric, magnetic, and magnetodielectric behaviors of BaFe12O19 hexaferrite modulated by Mn and Ti substitutions

We prepared Mn- and Ti mono-doped and co-doped BaFe12O19 hexaferrites via solid-state reaction to investigate the interplay between magnetic and dielectric properties. Mn2+ ions preferentially occupy the 4f2 and 2b sites, while Ti4+ ions mainly substitute the Fe3+ ions at 4f1 and 12k sites as revealed by the Raman spectroscopy and formation energy. Pure BaFe12O19 exhibits ferrimagnetism. The hexaferrites related to Ti doping have noncollinear longitudinal conical spin order at low temperatures, where BaFe6Mn3Ti3O19 retains this spin order up to room temperature. Ti4+ substitution at 4f1 and 12k sites plays a pivotal role in stabilizing the noncollinear conical spin order through adjusting the superexchange interactions and reducing the uniaxial magnetocrystalline anisotropy along the c-axis. The magnetic response exhibits two distinct transition temperatures because Ti4+ ions interrupt the magnetic superexchange interactions with two inequivalent exchange integrals. Pure BaFe12O19 presents a quantum paraelectric behavior at low temperatures, which is disrupted by Mn-Ti co-doping due to the decoupling of electric dipoles within the triangular bipyramid. Electron hopping and polaronic effects dominate the dielectric response at 10-50 K, while Maxwell-Wagner interfacial polarization and electron hopping contribute to dielectric dispersion at higher temperatures. The negative MD effect of pure BaFe12O19 and BaFe6Mn3Ti3O19 at 10 K originates from spin-phonon coupling and electric polarization induced by noncollinear spin order under magnetic field, respectively. The Mn-Ti co-doped samples achieve relatively higher MD responses at low magnetic fields. In higher temperatures, the MD effect arises mainly from the magnetic field modulation of the electron hopping with non-intrinsic interfacial polarization.
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All authors Xiao-Fan Zhang, Yang Yang, Ze-Qing Guo, Li Lv, Can Gao, Jian-Ping Zhou, Xiao-ming Chen

Strongly Correlated Electrons

Melting upon cooling in a quantum magnet

Heating enhances thermal fluctuations and typically leads to melting of solids, but in exceptional cases, heating can also cause liquids to solidify. The paradigm of this counterintuitive phenomenon is solidification of liquid $^3$He upon increasing temperature, known as the Pomeranchuk effect. Here we show that such inverse melting also appears in quantum magnetism. We find that, on cooling, the Ising-like triangular-lattice antiferromagnet erbium heptatantalate first develops a three-sublattice long-range magnetic order – analogous to a solid – which then, unexpectedly, melts at even lower temperatures into a short-range correlated spin-stripe state – analogous to a liquid. We propose that such an unprecedented “spin Pomeranchuk effect" can generically arise from strong competition between spin-spin interactions in frustrated magnets, and provides a novel avenue to transformations between exotic magnetic phases.
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All authors K. Jaksetič, T. Arh, M. Pregelj, M. Gomilšek, M. Dragomir, P. Prelovšek, M. Ulaga, L. Šibav, M. Malovrh, K. Železnikar, Z. Jagličić, P. Manuel, F. Orlandi, D. Khalyavin, M. D. Le, N. Bujault, E. Lhotel, J. van Tol, U. Jena, B. Sana, P. Khuntia, A. Zorko

Superconductivity

Regulating oxygen content and superconductivity in La$_3$Ni$_2$O$_{7+\delta}$

The synthesis of high-quality Ruddlesden-Popper (RP) nickelates remains challenging due to variations in oxygen content and the prevalence of intergrown RP phases. Precisely controlling the stoichiometry and characterizing the resulting physical properties are essential for understanding the mechanism of high-$T_c$ superconductivity in these materials. In this work, we synthesize a series of La$_3$Ni$_2$O$_{7+\delta}$ samples with systematically controlled oxygen content and perform comprehensive structural and compositional analyses. Precise oxygen tuning enables us to tailor the microstructure, yielding a pure bilayer phase, a mixture of bilayer and hybrid single-layer-bilayer phases, and a predominantly bilayer phase containing trilayer intergrowths. High-pressure transport measurements reveal distinct superconducting transitions with contrasting $T_c$ values, corresponding to the bilayer phase, the hybrid phase, and trilayer inclusions. Notably, we find that oxygen content not only governs the phase purity$-$i.e., the presence of intergrowth phases$-$but also directly modulates the upper critical field ($H_{c2}$) of the bilayer superconductivity. By establishing a phase diagram of $T_c$ and $H_{c2}$ as functions of oxygen content in La$_3$Ni$_2$O$_{7+\delta}$, this work advances synthetic control and provides new insights into the superconducting mechanism of RP nickelates.
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All authors Peiyue Ma, Jingyuan Li, Xing Huang, Yixing Zhao, Yifeng Han, Mengwu Huo, Deyuan Hu, Chaoxin Huang, Hengyuan Zhang, Sihao Deng, Lunhua He, Juan Rodriguez-Carvajal, Abhisek Bandyopadhyay, Alessandro Puri, Devashibhai Adroja, Xiang Chen, Tao Xie, Zhen Chen, Hualei Sun, Meng Wang

Statistical Mechanics · Cross-listed from quant-ph

Hierarchical entanglement transitions and hidden area-law sectors in quantum many-body dynamics

Chaotic many-body dynamics typically generates volume-law entanglement from initially low-entangled states. We reveal an intricate, hierarchical entanglement structure in local quantum quenches, both in the canonical purification of locally quenched Gibbs states and in a companion pure-state circuit model. In either setting, the full state exhibits a Renyi-index-tuned transition: at long times, $S_{\alpha>1}$ obeys an area law, while $S_{\alpha\le 1}$ is volume-law. More strikingly, the response linear in the quench strength is carried by only an O(1)-dimensional dominant Schmidt sector; the corresponding states exhibit their own area-to-volume-law transitions at critical indices $\alpha_c<1$, implying polynomial-bond-dimension approximability in one dimension. We provide evidence that this hierarchy persists recursively: upon bipartitioning the dominant Schmidt states, their leading Schmidt sectors exhibit analogous structure. We derive the mechanism analytically in the circuit model, prove the $S_{\alpha>1}$ area law for locally quenched Gibbs states, and support the hierarchy by exact diagonalization of random circuits and locally quenched Gibbs states of chaotic spin chains.
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Strongly Correlated Electrons

Second quantization of anyons and spin-anyon duality

Anyons exhibit a non-trivial interplay between local exclusion rules and non-local braiding and exchange phases, making a consistent commutation algebra and second-quantized formulation challenging. We develop an algebraic framework for Abelian anyons in one dimension with statistical phase $\theta$ = $\pi$/N that enforces a finite on-site occupancy of N-1 anyons with the exchange phase $\theta$ between different sites. Moreover, we introduce an exact Jordan-Wigner duality between $\pi$/3 anyons and spin-1 operators, allowing us to map a tight-binding anyon model to an XY-like spin-1 model. The model exhibits anyon-density-dependent flux, incompressible or gapless regions, and critical points with level crossings that appear as discontinuities in ground-state currents, momenta, fidelities, and correlation functions. Our second-quantization formalism establishes a novel spin anyon duality, offering a conceptually new route to realize anyons from spin Hamiltonians and to engineer corresponding device architectures.
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Materials Science

Unveiling the Atomistic Mechanisms of Shear-Induced LDA$\leftrightarrow$HDA Transformations and Shear Banding in Amorphous Silicon under High Pressures

Large-scale molecular dynamics simulations of shear deformation under constant pressures of amorphous silicon, PT from low-density-amorphous (LDA) to high-density-amorphous (HDA) Si, and formation of shear bands (SBs) are performed using the state-of-the-art Gaussian Approximation Potential. The simulations reveal that LDA$\leftrightarrow$HDA shear-induced PTs occur simultaneously until reaching steady state. The developed mechanism-based analytical model well describes shear-strain-governed kinetics and steady states at all pressures, independent of shear stresses. Shear reduces the pressure for initiation and completion of LDA$\rightarrow$HDA PT by $4.36$ and $5.10$ GPa, respectively. Without PT at low pressure, shear-banding occurs, which is partially suppressed by PT at higher pressure with uniform deformation-PT at $9.8$ GPa. Despite the much larger shear and expected fraction of HDA, surprising sharp drop in the HDA atomic fraction within the SB was discovered. In bulk, Si deforms by atomic rearrangement in localized shear transformation zones with high nonaffine displacements, which trigger nucleation of HDA clusters within LDA and, concurrently, of LDA clusters within HDA, without growth and coalescence. In SB, a turbulent-like flow with swirls is revealed, which promotes reverse PT from HDA$\rightarrow$LDA more effectively. Transformation-induced plasticity in amorphous Si is revealed. The findings open up basic research into the mechanisms and kinetics of plastic strain-induced PTs in amorphous materials under high pressure, with numerous important applications.
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All authors Hao Chen, Valery I. Levitas, Tengyi Liu, Jingyu Lu, Rui Zhu, Zhongqiang Zhang

Strongly Correlated Electrons · Cross-listed from physics.chem-ph

Angular Gausslets

Gausslets are one of the few basis constructions for electronic structure that combine locality, orthonormality, variable resolution, and an accurate diagonal approximation for the electron-electron interaction, but the original construction is tied to one dimension. Radial gausslets extended this idea to atoms while leaving the angular degrees of freedom in spherical harmonics, so the atomic interaction remained only partially diagonal in the combined basis. Here we introduce generalized gausslets on the sphere and combine them shell by shell with radial gausslets to form an atom-centered basis in which the electron-electron interaction takes a two-index integral-diagonal form. The angular basis starts from localized spherical Gaussians and uses injection to make a low-$\ell$ spherical-harmonic subspace exact. Tests of the kinetic spectrum, low-$\ell$ Coulomb matrix elements, spherium, first-row Hartree–Fock calculations, and He exact diagonalization show systematic convergence with increasing angular resolution. We also develop DMRG methods for this basis, including compact MPOs, correlated small-space starting states, Givens-rotation transfers between nearby angular sizes, and embedded sampled variance extrapolation (ESVE). We show that this combination of ingredients can be used to solve the Be atom, with extrapolations in the number of angular functions but with fixed radial resolution, to within about 0.1 mH of the complete basis set limit exact energy. This shows that DMRG calculations of first row atoms which include both static and accurate dynamic correlation on the same footing are feasible.
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Statistical Mechanics · Cross-listed from nlin.AO

Thermodynamic efficiency of self-organisation in nonequilibrium steady states

Active matter generates order or patterns through nonequilibrium dynamics. An open research challenge is to determine how efficiently a nonequilibrium self-organising system can convert consumed energy into macroscopic order. We study an information-theoretic quantity that directly addresses this challenge by estimating the entropy reduction induced by a small control-parameter perturbation, relative to the generalised work required for the perturbation. This quantity has previously been considered mainly in an equilibrium or near-equilibrium context, and here we extend this framework and apply it to two nonequilibrium self-organising systems: persistent and active Ising models. We observe that the thermodynamic efficiency of nonequilibrium systems maximises at phase transitions, as in equilibrium systems. Furthermore, we compare thermodynamic efficiency and inferential efficiency across control parameters. While these two quantities are equal in equilibrium as a consequence of the fluctuation-dissipation theorem, we report that they diverge out of equilibrium, and the gap serves as a phenomenological signature of broken detailed balance.
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Statistical Mechanics

The unique, universal entropy for complex systems

A unique, universal definition for the entropy of nonlinear, complex systems is proposed. The Shannon entropy is shown to measure energetic, configurational, and nonlinear degrees of freedom (DOF). An entropy calibrated to the asymptotic nonlinearity of the distribution reduces the nonlinear DOF to zero and modifies the configurational DOF with a generalized logarithm. Physical axioms regarding the asymptotic growth of states, the calibration from an informational scale, and nonlinear dynamics provide a foundation for the proof that the calibrated entropy is unique and comprehensive across the short- and long-range dependency classes. The informational scale quantifies the linear uncertainty independent of the nonlinearity. This entropy, when constrained by the informational scale, is maximized by the coupled stretched exponential distributions (CSED). A consistent thermodynamics for nonequilibrium systems is proposed with the temperature equal to the scale constraint divided by the Boltzmann constant. Physical and informational applications are highlighted.
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Statistical Mechanics

Finite-size scaling properties of classical random walk on various two-dimensional lattices

We consider various two-dimensional lattices such as square, Kagome, Lieb, honeycomb, dice lattices of finite extent, to study the effect of lattice profile in terms of the number of nearest neighbour and connectivity patterns on the classical random walk in the unbiased scenario. We find that the standard deviation of distance travelled by the walker is insensitive to the non-uniformity of the lattice profile leading to diffusive transport even in the finite size lattices. Our study indicates that the mass fractal dimension varies within a window $1.50\pm 0.03$ for all finite-size lattices. A weak ordering within the above window, correlated with the average coordination number, is observed, while Lieb and square lattices yielding the minimum and maximum values, respectively. However, confidence intervals reveal substantial statistical overlap for several lattice pairs even though the lattice profiles vary as far as the average number of connecting bonds and directionality of bonds are concerned. We also study the scaling complexity of the circumference of the closed curve traced by the walker while investigating the hull dimension. We find similar trend for hull fractal dimension as well and that was found to within the window $1.37\pm 0.03$ for finite-size lattices. Within the above window, the ordering remains qualitatively unaltered as compared to mass dimension while the confidence interval rectifies the order quantitatively. The square lattice clearly exhibits the upper bound for hull fractal dimension and the remaining lattices show extensive statistical overlap within the above window. We exhibit a tendency of the mass and hull fractal dimension to reach their thermodynamic values given by Brownian motion when we allow more number of steps within the finite size of the lattice, as confirmed by a data collapse analysis.
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Mesoscale and Nanoscale Physics

Giant orbital-magnon conversion driven perpendicular magnetization switching

The pursuit of beyond-Moore information technologies has stimulated the exploration of novel information carriers, such as electron spin, orbital, and magnon, beyond electron charge. Efficient interconversion among these degrees of freedom and precise control over the information states are crucial for advancing nanoelectronic devices. However, a direct coupling between orbital angular momentum (L) and magnons (M) has remained elusive, and magnetization switching through orbital-to-magnon (L-M) conversion has not yet been achieved. Here, we report the experimental demonstration of L-M conversion in an orbital metal/antiferromagnetic insulator bilayer at room temperature, with an efficiency over an order of magnitude higher than that in traditional orbital systems lacking the L-M process. Consequently, we achieved efficient room-temperature perpendicular magnetization switching in a CoFeB ferromagnetic layer mediated by this new mechanism. Our findings establish a direct link between orbitronics and magnonics, providing a new platform for the development of advanced nano-devices based on orbital-driven magnonic phenomena.
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All authors Fanyu Meng, Ying Feng, Mingyang Sun, Baiyan Kang, Donglin Song, Tuo Zhang, Jia Zhang, Wenping Zhou, Jijun Zhao, Yi Wang

Soft Condensed Matter

Loop Extrusion Reversal by Condensin Motor is Mediated by Catch Bonds

Structural Maintenance Complexes (SMC) are energy consuming motors that are important in folding the genome by loop extrusion (LE) in all stages of the cell cycle. Single molecule magnetic tweezer pulling experiments have revealed that condensin, a member of the SMC family involved in mitosis, takes occasional backward steps, thus coughing up the gains in the length of the extruded loop. To reveal the mechanism of the forward and backward steps simultaneously, we developed a theory using the stochastic kinetic model and the scrunching mechanism for LE. The calculations quantitatively account for the measured force-dependent step size and dwell time distributions in both the directions. By postulating the existence of an intermediate state in the ATP-driven cycle that is poised to take a forward or a backward step, we predict that its lifetime increases as the external mechanical force increases till a critical value and subsequently decreases at higher forces. The surprising finding of lifetime increase in an active motor, at sub-piconewton forces, is the characteristic of catch bonds, known in force-induced rupture of several passive protein complexes. The identification of catch bond-like states in condensin not only expands our understanding of LE but also highlights the significance of mechanical forces in regulating genome organization.
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All authors Atreya Dey, Guang Shi, Ryota Takaki, D. Thirumalai

Soft Condensed Matter · Cross-listed from math.DS

Programming sequential deployment of origami via kinematic transition fronts

Propagating transition fronts, in which local interactions sequentially trigger state changes, are widely observed across natural, biological, and engineered systems. While such propagation has been engineered using energy-driven instabilities, front propagation governed purely by geometric constraints remains underexplored and lacks a general design framework. In particular, how to program sequential deployment in origami through such kinematic propagation remains an open challenge. Here, we develop a systematic design framework for kinematic transition fronts based on their correspondence with heteroclinic orbits in discrete dynamical systems. Focusing on strips of developable and flat-foldable degree-4 origami vertices, we show that asymmetric coupling between adjacent creases produces nonlinear recurrence relations whose composition generically gives rise to heteroclinic orbits connecting developed and flat-folded states, enabling domino-like sequential deployment. We further show that macroscopic shape can be programmed independently of propagation behavior by exploiting invariances in the recurrence relation, and illustrate the approach through a representative thick-panel origami prototype. These results enable programmable sequential deployment in origami via transition fronts, while also establishing a general framework for kinematic transition fronts in geometrically constrained systems.
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Quantum Gases

Stability and dynamics of dark-bright solitons in spin-orbit- and Rabi-coupled binary Bose-Einstein condensates

We investigate the stability and nonlinear dynamics of dark–bright solitons in a one-dimensional binary Bose–Einstein condensate subjected to synthetic spin–orbit and Rabi couplings. In the absence of spin–orbit coupling, we map the coupled Gross–Pitaevskii equations onto the integrable Manakov model to obtain exact dark–bright soliton solutions, providing a rigorous theoretical benchmark. We demonstrate that finite spin–orbit coupling breaks integrability by inducing spin-dependent phase gradients that drive component-wise spatial separation and intrinsic density oscillations. By contrast, coherent Rabi driving enforces phase locking between spin components and supports robust breather-like excitations. Furthermore, we derive analytical continuity relations for mass and spin current densities, mapping the internal spin dynamics onto an internal Josephson-junction framework in which the gauge field acts as a continuous spatial momentum bias. Using imaginary-time propagation together with Bogoliubov–de Gennes analysis, we systematically characterise ground-state phases and excitation spectra for both symmetric and asymmetric interaction regimes in homogeneous and harmonically trapped systems. Real-time simulations further demonstrate that synthetic gauge fields and interaction quenches drive the system far from equilibrium, triggering modulational-instability-induced multi-soliton fragmentation, breathing stripe patterns, and non-equilibrium transport. Our results highlight the interplay of synthetic gauge fields, external confinement, and interaction engineering as powerful tools for controlling the stability and internal dynamics of multicomponent quantum fluids.
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All authors K. Rajaswathi, R. Ravisankar, R. Radha, P. K. Mishra, P. Muruganandam

Soft Condensed Matter

Diffusiophoretic dispersion of a colloidal blob in porous media

Predicting and controlling the transport of colloids in porous media is essential for applications ranging from contaminant remediation to drug delivery. In these complex environments, solute gradients are ubiquitous and could drive diffusiophoretic particle migration, yet their impact on macroscopic colloid dispersion remains poorly understood. Here we combine experiments and simulations to quantify how diffusiophoresis alters the spreading of a colloidal blob in a 2D ordered/disordered porous medium. A joint blob of colloids and salt at high concentration is introduced into a medium filled with salt at low concentration and advected by a background flow. Intuition suggests that when colloids are attracted toward or repelled from the solute-rich blob, dispersion should be suppressed or enhanced, respectively. Instead, we observe the opposite trend: longitudinal dispersion is enhanced in the attractive case, whereas dispersion is suppressed in the repulsive case. Numerical simulations reveal that this striking reversal arises from diffusiophoretic exchange of particles between slow and fast streamlines, which we capture using a minimal two-layer model of coupled fast and slow plug flows. Finally, we probe how geometric disorder in the medium modulates this mechanism. Our results demonstrate that diffusiophoresis can strongly modulate macroscopic dispersion of colloids in porous media with implications for transport in subsurface and biological environments.
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Materials Science

Thermodynamics of stacking faults and phase stability in cobalt alloys: A combined computational and experimental study

Stacking fault energy dictates phase stability and deformation behavior in Co alloys and WC-Co cemented carbides, yet a quantitative assessment of alloying effects at finite temperatures remains poorly established. By integrating first-principles thermodynamics with microstructural characterization, we provide a rigorous evaluation of these influences across atomic and macroscopic scales. We show that stacking fault energetics at 0K for transition metal solutes are primarily governed by atomic misfit volume. While 4d and 5d elements follow a consistent linear trend, specific 3d solutes exhibit significant deviations due to non-negligible magnetic contributions. By incorporating phonon, electronic, longitudinal spin-fluctuation, and magnetic free-energy contributions, the model accurately captures the fcc-hcp transformation and quantifies how diverse solutes modulate the phase landscape. We demonstrate that V, Ni, Fe, Mo, and W lower the transformation temperature by stabilizing fcc phase, while Cr and C exhibit the opposite effect, consistent with experimental phase diagrams. Furthermore, microscopic analysis confirms that higher W content dissolved in the Co suppresses stacking-fault formation by elevating the stacking fault energy at finite temperatures. This work clarifies the physical mechanisms by which alloying regulates stacking fault energy and phase stability in Co-based systems, providing guidance for the design of Co-based alloys and WC-Co cemented carbides.
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All authors Zheng Zhong, Ziqi Cui, Yu Zhuo, Tianyu Yu, Jianfeng Cai, Kaibo Zou, Jiacheng Shen, Bowen Huang, Zhuoming Xie, Huiqiu Deng, Yang Yu, Hao Zhang, Wangyu Hu, Tengfei Yang, Jie Hou

Strongly Correlated Electrons

Imaging GHz surface acoustic wave modes in electrostricted LaAlO$_3$/SrTiO$_3$ heterostructures

The LaAlO$_3$/SrTiO$_3$ (LAO/STO) interface hosts a gate-tunable superconducting two-dimensional electron gas (2DEG) which can be programmed to create quantum devices such as ballistic electron waveguides and quantum dots. To fully exploit this platform for quantum transport, a key requirement is the ability to shuttle single electrons, electron pairs, and other exotic states between spatially separated devices with precision. Surface acoustic waves (SAWs), which travel along the surface of a solid, offer a powerful route to achieve this through their moving electrical potential that captures and transfers electrons. %acoustoelectric coupling. In particular, SAWs in the GHz regime enable fast, controlled transport of individual quantum particles. Although this approach is well-explored in GaAs-based 2DEG, SAW generation in STO remains largely unexplored due to the lack of intrinsic piezoelectricity at room temperature. Here, we investigate room-temperature SAWs in LAO/STO and observe SAW modes up to 2.2 GHz with very low propagation loss of the order $10^{-3}$ dB per wavelength. To directly visualize these modes, we employ Atomic Acoustic Force Microscopy (AAFM), achieving sub-micron resolution imaging of the SAW wave forms, providing insight into the electrostriction-induced SAW generation mechanism. Our measurements indicate a shear horizontal-type mode, which provides the ability to couple to in-plane degrees of freedom for future acoustoelectric and quantum device applications. This work studies the fundamentals of SAW excitation and propagation on STO, a widely used and commercially available substrate, enabling straightforward coupling of SAWs to a broad range of materials that can be grown or transferred onto STO.
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All authors Ranjani Ramachandran, Sayanwita Biswas, Prithwijit Mandal, Kyoungjun Lee, Madeleine Msall, Chang-Beom Eom, Patrick Irvin, Jeremy Levy, Mingyun Yuan

Statistical Mechanics · Cross-listed from math-ph

Anchored random clusters and SLE excursions

We provide a pedagogical review of CFT techniques to compute certain Schramm-Loewner Evolution (SLE) observables in the upper half-plane. The approach relies on the ability to express the observables as bulk-boundary correlation functions that involve degenerate boundary operators and, therefore, obey certain differential equations. In particular, we recover Schramm's left-passage probability for SLE, the SLE Green's functions, and the generalized densities of “anchored” critical percolation clusters first obtained by Kleban, Simmons, and Ziff. We also obtain new formulas corresponding to the densities of pivotal points between critical Fortuin-Kasteleyn (FK) clusters.
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Mesoscale and Nanoscale Physics

Kitaev chain in synthetic dimension with cavity-controlled Majorana modes

We introduce a tunable synthetic-dimension platform for realizing Kitaev-chain physics with high degree of control over Majorana zero modes. It is based on a generic Landau-quantized two dimensional electron system coupled to the magnetic flux of a superconducting LC circuit. The structured vector potential of a superconducting LC inductor induces attractive interactions between electron angular-momentum states at the lowest Landau level. These states serve as a synthetic dimension for the coveted fermionic Kitaev chain, with Majorana zero modes existing at the boundaries of the angular-momentum lattice. The crucial advantage of this proposal is the possibility of a robust, nonlocal readout and control of the Majorana states by a LC resonator. The platform relies on mature circuit QED and semiconductor technologies and provides a promising pathway to topological quantum computing.
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Materials Science

Magnetic influence on ion transport in concentrated solid solutions: An analytic investigation

It is well established that magnetic fields have a significant effect on transport in certain classes of electronic conductors. Less reported, however, are similar effects in solid ionic conductors. Despite the rarity of Hall mobility measurements in ionic conductors, recent experimental work in batteries and other systems has demonstrated that an applied magnetic field can significantly and beneficially alter ionic transport and electrochemical processes in solid materials in a way that would not be predicted from naïve Hall coefficient estimates. In this work, the influence of a magnetic field on ion transport in solids is investigated analytically, and general multi-component transport equations accounting for magnetic effects are presented. Specific models are then derived for solid, isotropic binary and single ion conductors. Material property combinations for which magnetic field influence may become significant are then computed for certain systems subject to compositional constraints. Finally, it is demonstrated that the derived model for binary conductors in a magnetic field fits experimental magneto-resistance data well for the fluoride ion conducting solid Pb$_{0.66}$Cd$_{0.34}$F$_2$, provided an assumption of near degenerate multi-component transport.
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Statistical Mechanics

Random sampling of self-avoiding theta-graphs

Theta-graphs are a type of spatial graph with two vertices connected by three edges. We investigate embeddings of theta-graphs in the square and simple cubic lattices, using a combination of the Wang-Landau Monte Carlo method with a variant of the BFACF algorithm which accommodates vertices of degree 3. This allows us to estimate the critical exponents governing the number of theta-graphs and the distributions of the different arm-lengths. For the cubic lattice these values can be compared to the corresponding exponents for prime knots. We also study the number of `monodisperse' theta-graphs where the three arms have the same lengths, and find evidence supporting a conjecture for the critical exponent in two dimensions.
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Tuesday 5 May

Materials Science · Cross-listed from physics.chem-ph

A Data-Driven Parametric Reduced-Order Chemical Kinetics Model Derived from Atomistic Simulations

Coarse-grained modeling in molecular simulations serves not only to extend accessible time and length scales beyond atomistic limits, but also to reduce high-dimensional chemical data to low-dimensional representations that expose the underlying latent structure. In the context of energetic materials, reduced-order chemical kinetics models are essential for describing thermally driven decomposition, deflagration, and detonation. Recent data-driven approaches based on machine learning and dimensionality reduction have shown promise for constructing such models directly from atomistic simulations; however, when reaction pathways vary strongly with thermodynamic conditions, these methods can produce latent representations that are difficult to interpret physically or extrapolate reliably. Here, we introduce a parametric, temperature-dependent autoencoder framework that learns a unified reduced-order description of chemical decomposition across a wide range of temperatures within a single model. Physical interpretability is enforced through non-negativity constraints and a softmax activation, enabling the latent variables to be directly associated with additive chemical components and their relative contributions. Reaction kinetics and heat-release parameters are optimized simultaneously within the neural-network architecture, providing a self-consistent coupling between chemical evolution and energetics. The proposed approach yields significantly improved reconstruction accuracy compared to a state-of-the-art dimensionality-reduction method, as quantified by reductions in mean-squared error, while preserving a physically meaningful latent representation. These results demonstrate that parametric, interpretable machine-learning models can provide robust reduced-order chemical kinetics suitable for multiscale modeling of complex reactive systems.
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Mesoscale and Nanoscale Physics

Diffusive transport from spatially correlated random phase kicks

We study the dynamics of a single-particle wave packet on a one-dimensional lattice subject to periodic random phase kicks with finite spatial correlation length. This stroboscopic setting provides a controllable model of dephasing in driven quantum systems. Using a momentum-space formulation, we show that the evolution is governed by an accumulated phase whose structure determines the spreading of the wave packet. We find that the phase kicks strongly suppress ballistic transport and induce diffusion at long times. We derive an explicit analytical expression for the diffusion coefficient as a function of the correlation length, in excellent agreement with numerical simulations. Our results uncover a simple mechanism by which spatially correlated phase noise controls quantum transport, and provide a quantitatively testable prediction for diffusion in periodically driven lattice systems. Possible experimental realizations in cold-atom platforms are discussed.
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