Materials Science
Transferable Graph Neural Network Surrogates for Molecular Dynamics Across Crystal Symmetries
Judah Immanuel, Avik Mahata and Aniruddha Maiti
We present a transferable graph neural network (GNN) surrogate framework for molecular dynamics (MD) that directly predicts atomic displacements and propagates atomistic configurations without explicit force evaluation or numerical time integration. The central objective of this work is to establish whether a common GNN formulation can represent atomic dynamics across materials with fundamentally different
crystal symmetries and coordination environments. The same network architecture, feature representation, graph construction, and training protocol are applied without
symmetry-specific modification to face-centered cubic (FCC) aluminum, body-centered cubic (BCC) iron, and hexagonal close-packed (HCP) magnesium. Across these distinct elemental and crystallographic systems, the framework achieves position-prediction errors on the order of 10^-4 Angstrom^2 and supports stable autoregressive propagation to nanosecond time scales. The predicted trajectories preserve thermodynamic stability, characteristic coordination-shell structure in the radial distribution functions, and temperature-dependent mean-squared-displacement behavior. In particular, the framework captures the closely spaced coordination shells of BCC iron and the anisotropic coordination environment of HCP magnesium without introducing
lattice-specific representations. These results demonstrate that direct GNN-based atomic propagation can be formulated as a transferable framework across different elements,
lattice symmetries, and coordination geometries, providing a pathway toward generalizable surrogate models for accelerated molecular dynamics.
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Statistical Mechanics
Disordered hyperuniform modulated phases and the cosmic web from one free energy
Fausto Martelli
Disordered hyperuniformity spans twenty-five orders of magnitude, from the microscopic world of soft and condensed matter to the distribution of matter in the universe. We introduce a free-energy functional with no adjustable coupling, a phase-field-
crystal ordering term and a Newtonian tail, and show that its two kinetic limits generate two of these structures. Under conserved overdamped dynamics it arrests in a bicontinuous labyrinth of the kind found in confined fluids, block copolymers, active matter and vegetation patterns, which is a class III disordered hyperuniform state; under inertial dynamics in an expanding background it generates a
cosmic web whose tidal skeleton matches that of
gravity alone to within $0.03$ in every morphological class. In both limits the suppressed long-wavelength fluctuations are inherited from the initial condition rather than made by the dynamics: the large-scale exponent of the arrested state equals the primordial one, and
gravity rescales the infrared spectrum by the linear growth factor to better than one per cent over a factor $1363$ of growth. The two sectors are continuously connected, and their distance is measurable: once the ordering modulation saturates, its mean-field back-reaction leaves the medium with a residual pressure proportional to $\lambda_0^2$ that suppresses the growth of the largest scales by a smooth factor and vanishes in the cold-matter limit $\lambda_0\to0$.
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Mesoscale and Nanoscale Physics
Multiple Majorana zero modes realization based on superconducting topological crystalline metal ZrRuAs
Xiaoxu Wang, Jinyu Zou and Gang Xu
The
symmetry-protected multiple Majorana zero modes (MZMs) can be manipulated under external fields and have emerged as a promising pathway toward realizing topological
quantum computing. While the suitable materials hosting multiple MZMs are still scarce, we propose a feasible candidate platform named superconducting topological crystalline metals (STCMs) that simultaneously possess
symmetry-protected topological bands and intrinsic superconductivity. Model analyses demonstrate that the interplay among s-wave superconductivity, mirror
symmetry-protected multiple surface Dirac cones, and the introduced
spin splitting leads to high BdG Chern numbers of $\mathcal{N} = \pm C_M$, where $C_M$ is mirror Chern number of the STCM. First-principles calculations identify the experimentally synthesized
superconductor ZrRuAs as a promising candidate with $C_M=2$, hosting two
symmetry-protected surface Dirac cones. When integrated into a
heterostructure with the ferromagnetic
insulator (FMI) such as GdI$_{2}$, a topological superconducting phase with $\mathcal{N} = -2$ can be realized, giving rise to two branches of MZMs. This new scheme offers advantages of structural simplicity and tunability, making the FMI/STCM
heterostructure an ideal platform for investigating multipole MZMs and novel topological
qubit.
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Superconductivity
Generating is not discovering: a pre-registered physics judge for AI-proposed superconductors, calibrated on six known superconductors and one negative control
Reinaldo Inácio
Generative models now propose millions of "stable"
crystal structures, and their own referees have shown that stability is not discovery; no public
benchmark asks whether a candidate has the physics to do a job. For
superconductors the job is twofold: to pair, with a definite gap
symmetry, and to become wire. We present a physics judge that answers both from a structure alone (DFT+U, a gated Wannier model, the full rank-4 RPA susceptibility on a $24^3$ mesh, the linearized gap equation, an irreducible-representation classifier, a manufacturability funnel) and measure what it says about what generators propose. With answer keys pre-registered before computing, the judge was calibrated on six known
superconductors (Nb, Nb$_3$Sn, MgB$_2$, BaFe$_2$As$_2$, La$_{2-x}$Sr$_x$CuO$_4$, YBa$_2$Cu$_3$O$_7$), recovering the expected class in all six after two dated corrections. On the ruthenium analogue of the iron pnictide, with two runs and their criterion pre-registered the day before, it returns a null verdict at the same physical interaction where iron gives s$\pm$ ($\lambda_1 \le 0.0007$ versus 0.096; critical U 4.17 versus 0.97 eV); the pre-registered equal-alpha run fails the letter of the criterion, and we declare the resolution in favour of absolute U as post-hoc. The funnel reproduces the industrial map with thresholds fixed before running. Three generation audits follow: a descriptor sweep over 150 Materials Project metals re-finds the canon; 1,248 MatterGen structures yield 0 candidates that are new, stable and carry a pairing motif; mechanism filters over 47,893 compounds, validated by a blind hold-out, re-derive the community's analogies: geometry plus d-count is necessary but not sufficient. Generation re-finds what is known; judgment is the bottleneck. We propose a public
benchmark over the eleven lists of AI-proposed
superconductor candidates, none of which classifies gap
symmetry.
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Soft Condensed Matter
Comprehensive molecular dynamics study of the dynamical properties of a dense binary hard-sphere mixture
Sabry G. Moustafa and Andrew J. Schultz
We present an extensive molecular dynamics (MD) study of the dynamical properties of a binary hard-sphere fluid over a wide range of packing fractions, $\phi \approx 0.357-0.582$. The self-diffusivity, $D$, and shear viscosity, $\eta$, are computed using an efficient implementation of the Einstein–Helfand method. The finite-size effects in $D$ scale as $1/N^\alpha$, with $\alpha$ increasing from approximately $1/3$ to $3/4$ with increasing $\phi$, whereas those in $\eta$ are negligible except for $\phi \gtrsim 0.554$, where they scale as $1/N$. The data are then extrapolated to the thermodynamic limit to obtain $D_{\infty}$ and $\eta_{\infty}$. Both coefficients show a super-Arrhenius dependence on $\phi$ for dense states, accompanied by a breakdown of the Stokes–Einstein relation. Although both $D_{\infty}(\phi)$ and $\eta_{\infty}(\phi)$ data are well described by an exponential form, we demonstrate that these fits do not provide reliable estimates of the critical packing fraction, $\phi_0$, owing to the substantial extrapolation required beyond the accessible
equilibrium range. We find the commonly assumed proportionality between $\eta$ and the structural relaxation time, $\tau_\alpha$ , to not hold for this system. For $\phi\gtrsim 0.570$, the van Hove self-correlation function $G_s(r, \tau)$ exhibits a spatial exponential decay at intermediate times, $\tau$, signaling dynamic heterogeneity. The characteristic decay length scales as $\lambda \sim \tau^\nu$, with $\nu \approx 1/3$, in contrast to the conventional square-root scaling. We also investigate temporal heterogeneity through the four-point dynamic susceptibility, $\chi_4(\tau)$, and its peak time, $\tau_4$. These findings provide rigorous
benchmark MD data for computational studies of glassy dynamics and establish a reference for testing theoretical models in dense disordered systems.
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Statistical Mechanics
The Role of Concentration in Determining NaCl Nucleation Mechanism: A Story of Pathways Coexistence
Porhouy Minh and Sapna Sarupria
Deciphering the microscopic details of
crystal nucleation remains a key open problem in chemical physics. For aqueous sodium chloride (NaCl), the extent to which nucleation involves amorphous ion aggregation, and the supersaturation regime in which two-step-like behavior emerges, remains actively debated. In this work, we examine NaCl nucleation at 12, 13, and 14 mol/kg ($S = 3.2, 3.5, 3.8$) using unbiased path sampling with $\infty$RETIS. Through a combination of reaction coordinate analysis, joint and conditional probability distributions,
diffusion tensor analysis, and conditional free energy landscapes, we identify nucleation pathways without a priori mechanistic assumptions. While all concentrations are governed by the same reaction coordinate, indicating that
nucleus growth and structural ordering are central to crossing the barrier, the nature of reactive trajectories changes with supersaturation. At lower concentrations, nucleation mainly occurs via tightly coupled increases in cluster size and ordering, compatible with a one-step-like mechanism. As concentration increases, amorphous aggregation becomes increasingly decoupled from crystallization, and pathways involving substantial amorphous growth prior to crystallization become progressively more probable. Importantly, these pathways coexist within a single broad reaction channel rather than proceeding through distinct metastable intermediate states. Together, these results reconcile earlier, contradictory reports on NaCl nucleation mechanisms and support a view of nucleation as an ensemble of competing reactive pathways whose relative probabilities vary continuously with supersaturation. More broadly, our findings illustrate that substantial mechanistic diversity can emerge within a classical nucleation framework, without requiring distinct non-classical descriptions.
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Mesoscale and Nanoscale Physics
Intrinsic (valley) thermal Hall conductivity of phonons in graphene for integer quantum Hall phases
M. Selch
We calculate the intrinsic contribution to the (valley) thermal Hall conductivity of
phonons in (Semenoff-gapped)
graphene in the
quantum Hall regime where bulk electron thermal transport is suppressed. The (valley) thermal Hall transport of
phonons considered here originates from a
phonon (valley) Hall viscosity induced by electron (valley) Hall conductivity and viscosity via
geometric electron-
phonon coupling. The so generated
phonon (valley) Hall viscosity is identified with the emergent (valley) Hall viscosity recently introduced in Phys. Lett. A 595, 132096 (2026). While our calculations refer to
graphene, they may very well be generalized to other Dirac materials like group-VI transition metal dichalcogenides. We discuss the prospect of measuring the
phonon thermal Hall conductivity in
graphene-based
heterostructures and estimate the corresponding valley response induced by electrons in the inversion
symmetry broken phase.
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Statistical Mechanics
Topological instability and reentrant crystallization in active solids
Zory Davoyan, Aditya Jha and Anton Souslov
We extend the KTHNY theory of defect-mediated melting in two dimensions to the case of active solids exhibiting both non-reciprocal (odd) elasticity and Cosserat (micropolar) coupling. For perturbatively small values of non-reciprocity, melting still proceeds via defect unbinding, but the melting temperature shifts due to activity. However, at a threshold value of non-reciprocity, we discover a qualitatively distinct mechanism for 2D melting, which we call topological instability. This melting occurs through the proliferation of defect pairs at any temperature. We use a combination of field theory and simulations to characterize this zero-temperature transition in terms of the defect-pair fugacity. Surprisingly, for higher activity values, we find reentrant crystallization, where the quasi-long-range order survives even at temperatures for which the
equilibrium crystal would melt. Although active solids present one realization of this topological instability, we envision core-energy-driven defect proliferation as a generic and unexplored route for two-dimensional melting.
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Statistical Mechanics
Gap-controlled thermalization in a SSH model version of the Fermi-Pasta-Ulam-Tsingou chain
José A. Aké and Gerardo G. Naumis
In classical anharmonic
lattices, the resonance structure driving nonlinear mode mixing is reshaped by band gaps. However, it remains unclear whether a spectral gap hinders or promotes long-time thermalization. Here we study a dimerized Fermi-Pasta-Ulam-Tsingou chain - a classical SSH model analogue with alternating spring constants - and quantify how the acoustic-optical gap controls relaxation under alpha-type (cubic) nonlinearity. Tracking modal energies and spectral
entropy via long-time symplectic simulations, we find a sharp isolation threshold when the dimerization strength reaches half its maximum value, set by the onset of the first umklapp process that allows two zone-boundary acoustic
phonons to fuse into a zone-center optical
phonon; below this threshold, three-wave acoustic-acoustic-optical scattering activates the optical branch on timescales of order 1e4 oscillation periods, while above it the bands remain dynamically isolated. We further show that boundary conditions reshape this picture, producing long-lived sticky states for specific mode excitations. These results establish the phononic gap as a tunable, momentum-selective filter for nonlinear energy transport, suggesting a general route to controlling thermalization in dimerized or topologically gapped nonlinear
lattices.
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Materials Science
Light-Driven Ultrafast Control of Time-Reversal Symmetry in SrTiO3
In Hyeok Choi, Sergei Urazhdin, Shivasheesh Varshney et al. (+3 more)
Light-driven control of material
symmetry enables the engineering of phenomena forbidden in
equilibrium. Although electromagnetic fields have been used to break time-reversal
symmetry, its dynamic control on ultrafast timescales in nonmagnetic insulating oxides remains virtually unexplored. Here, we demonstrate simultaneous
magnetic symmetry lowering and timereversal-
symmetry breaking in cubic SrTiO3 driven by an off-resonant, elliptically polarized THz pulse. Second harmonic generation (SHG) polarimetry reveals emergent SHG circular dichroism inconsistent with third-order nonlinear processes under cubic m3m
symmetry. The SHG polar patterns exhibit mirror-
symmetry breaking, indicating a transient reduction to tetragonal 4/mm'm'
magnetic symmetry. Furthermore, the SHG response scales linearly with the angular momentum of THz pulse, providing direct evidence for THz-field-induced timereversal-
symmetry breaking. These results establish a direct pathway for ultrafast
symmetry control in non-
magnetic oxides, enabling dynamic manipulation of emergent phases on ultrafast timescales.
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All authors In Hyeok Choi, Sergei Urazhdin, Shivasheesh Varshney, Seung Gyo Jeong, Bharat Jalan, Keith A. Nelson
Statistical Mechanics
Exact asymptotic equivalence between precisions of record-times and integrated currents
Alberto Garilli
We establish an exact equivalence between the fluctuations of integrated currents and the temporal statistics of current record events in continuous-time Markov jump processes. Specifically, we show that, under minimal assumptions, the Fano factor of an integrated current coincides exactly with the squared coefficient of variation of the inter-record waiting times. This result is obtained by showing that inter-record times induce a renewal structure, since each record event resets the system to a fixed state, and that their generating function can be expressed exactly in terms of a combinatorial organization governed by Narayana numbers. The equivalence extends previous results obtained for unicyclic networks to arbitrary finite-state graphs and provides a unified representation of current fluctuations in terms of record-time observables. The results are derived within a purely probabilistic framework and clarify the structural origin of current precision in terms of first-passage-like event statistics.
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Materials Science
High-pressure elastic properties of GeO2 polymorphs up to 120 GPa
Gulshan Kumar, Sumit Ghosh, Sharad Babu Pillai et al. (+1 more)
We systematically investigated the phase stability and pressure dependence of the elastic properties of four GeO2 polymorphs: rutile-, CaCl2-, alpha-PbO2-, and pyrite-type phases using theoretical calculations based on density functional theory. The elastic constants were calculated at 5 GPa intervals within the respective stability ranges of the four phases, as determined from static enthalpy calculations. We further employed a classical strain-coupled Landau free-energy expansion to describe the pressure
evolution of the elastic response associated with the rutile- to CaCl2-type transition and to elucidate the origin of the elastic softening near the transition. The rutile- to CaCl2-type phase transition is consistent with a Landau-type second-order transition, with a critical pressure of 14.6 GPa obtained from the strain-based analysis. As the transition pressure approaches, elastic softening develops in the rutile-type phase, resulting in anomalous pressure dependence of the bulk and shear modulus. The calculated elastic-wave anisotropy increases markedly near the transition, primarily due to the rapid reduction in shear-wave velocity, reaching a maximum of approximately 122% at 22.5 GPa. Following the transition, the anisotropy decreases sharply in the CaCl2-type phase and exhibits a discontinuity at the CaCl2-type/alpha-PbO2 -type phase boundary. The higher-pressure alpha-PbO2- and pyrite-type phases exhibit comparatively weak pressure dependence of anisotropy, with a small discontinuity at their respective phase transition boundaries. The pyrite-type phase has the lowest anisotropy, reaching only approximately 4-5% at high pressure, consistent with the high-
symmetry cubic structure and nearly isotropic elastic-wave propagation.
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All authors Gulshan Kumar, Sumit Ghosh, Sharad Babu Pillai, Rajkrishna Dutta
Quantum Gases
Prethermal ripplons in quenched binary Bose-Einstein condensates
Yanda Geng, Stephen Eckel, Gretchen K. Campbell et al. (+1 more)
Prethermal states–long-lived quasi-
equilibrium configurations–occur in a wide range of physical systems that exhibit fast dephasing or reconfiguration followed by slow relaxation towards thermal
equilibrium. We experimentally studied the 1D interface between immiscible 2D Bose-Einstein condensates (BECs); following a quench, the interfacial capillary waves (ripplons) quickly relaxed into a long-lived prethermal state characterized by a persistent non-equipartition of energy, evoking the classic Fermi-Pasta-Ulam-Tsingou problem. We directly measured the interface's height profile as it evolved in time, identified the contribution of individual ripplon modes, and find that, though their individual amplitudes are thermally distributed, they are not in thermal
equilibrium–high-momentum modes rapidly equilibrated with the bulk
phonon modes of the 2D BEC, while lower momentum modes remained at elevated temperatures, forming a long-lived prethermal configuration for the whole system. We attribute this to kinematic isolation: the absence of energy- and momentum-conserving relaxation processes in our system at ultracold temperature.
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All authors Yanda Geng, Stephen Eckel, Gretchen K. Campbell, Ian B. Spielman
Quantum Gases
Temperature-induced effective topology in many-body ultracold atomic quantum systems
Nitya Cuzzuol, Michele Miotto, Arianna Montorsi et al. (+2 more)
Ultracold atomic
quantum systems offer an unprecedentedly powerful platform for exploring interacting
symmetry-protected topological phases. Here, we show that their characteristic control over temperature provides a resource for engineering effective topological regimes with no zero-temperature counterpart. Employing finite-temperature
matrix-product-state calculations, we investigate experimentally accessible
Hamiltonians - the interacting bosonic Su-Schrieffer-Heeger and
spin-1 XXZ chains - that host a topological phase at zero temperature, as well as a fermionic dipolar ladder model whose ground state exhibits no topological order. By tracking complementary topological markers, we identify an intriguing mechanism rooted in the structure of the zero-temperature phase diagrams: in finite-size systems, excitation gaps with different magnitudes define an intermediate-temperature window where the correlations associated with the lower gap are suppressed, while those protected by the larger gap persist. This enables the emergence of effective finite-temperature regimes exhibiting topological features that are either absent or qualitatively different from those at zero temperature. Our results establish a novel route toward exploring effective topological phases in ultracold atomic
quantum systems.
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All authors Nitya Cuzzuol, Michele Miotto, Arianna Montorsi, Giacomo Valtolina, Luca Barbiero
Superconductivity
Origin of Flat Bands and Role of Electron Correlation in Lutetium Hydrides
Anmol Lamichhane, Adam Denchfield, Hyeondeok Shin et al. (+3 more)
Lutetium hydrides (LuH$_x$, $1.75 \leq x \leq 3$) form a diverse series of phases, several of which superconduct under pressure. Characterizing their electronic properties has remained challenging owing to a high propensity for hydrogen defect formation, and recent angle-resolved photoemission (ARPES) measurements reveal puzzling flat-band regions that position these materials as candidates where superconductivity and flat-band physics may intersect. Here, by combining density functional theory, dynamical mean-field theory, and the constrained random-phase approximation, we uncover the microscopic origin and correlation nature of these flat bands. Across all compositions, the screened on-site Coulomb interaction is larger for H-s states than for Lu-$d$ states due to compact hydrogen orbitals. Nevertheless, these systems remain weakly correlated metals: the nearly filled H-$s$ shell admits little charge fluctuation, so its large interaction acts as a static level shift rather than a source of correlation. Although hydrogen primarily occupies tetrahedral sites at $x=2$, we discover that anti-site defects–where hydrogens occupy slightly unfavorable octahedral sites–generate both the ARPES flat-band features and the low-energy optical absorption peak, attesting to the usual defective nature of such materials in experimental samples. We further find that correlation strength is governed primarily by hydrogen orbital filling at these sites rather than the interaction magnitude itself. Consequently, we identify hydrogen orbital filling as the fundamental organizing principle dictating correlation and low-energy flat-band physics in lutetium hydrides.
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All authors Anmol Lamichhane, Adam Denchfield, Hyeondeok Shin, Panchapakesan Ganesh, Russell J. Hemley, Hyowon Park
Mesoscale and Nanoscale Physics
Quantum Phase Transitions and Fractional Quantized Anomalous Hall Insulators in Rhombohedral Graphene
Zach Hadjri, Xinlei Yue, Tonghang Han et al. (+10 more)
Fractional
quantum anomalous Hall effect (FQAHE) has been discovered in twisted MoTe$_2$ and rhombohedral
graphene/hBN moiré superlattices. Such van der Waals
heterostructures feature a tuning knob of gate displacement field $D$, which is absent from the conventional fractional
quantum Hall systems in two-dimensional electron gases. $D$ plays a critical role in engineering FQAHE and other emergent
quantum states and provides an exciting new opportunity to explore their
quantum phase transitions. However, the microscopic details of such transitions and temperature-dependent transport have remained mostly elusive. Here we report systematic resistance measurements in rhombohedral pentalayer
graphene/hBN moiré superlattices. We found that the displacement field-driven phase transitions between Composite Fermi
liquid, Fermi
liquid, Fractional Chern
insulators, and insulating states are described by semi-circle relations of the longitudinal and transverse resistivities (or conductivities), largely unexplored in the fractional
quantum Hall systems. This agrees with a spatially separated two-phase picture for the phase transitions and further indicates a new
insulator phase–fractional quantized anomalous Hall
insulator. By comparing the temperature-dependence of longitudinal resistance with the thermal activation model, we estimated the transport gap sizes in three fractional Chern
insulator states. Our work shed light on the
quantum and temperature evolutions of fractional Chern
insulator states–providing necessary background for anyon-braiding and gate-defined junctions in rhombohedral
graphene.
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All authors Zach Hadjri, Xinlei Yue, Tonghang Han, Yuxuan Yao, Zhengguang Lu, Shenyong Ye, Junseok Seo, Jixiang Yang, Kenji Watanabe, Takashi Taniguchi, Liang Fu, Ady Stern, Long Ju
Soft Condensed Matter
A force model for dense granular flows and particle segregation
M.P. van Schrojenstein Lantman
Dense granular flows are a common occurrence throughout nature and industry, but still exhibit phenomena that are not fully understood. One of these phenomena is the segregation of particles that constitute a dense granular flow, where particles separate due to differences in properties such as size and density. This work approaches segregation from a new perspective by developing a force model for a single particle based on the observation that there are two opposing drag forces acting on the particle. Validation of the model in mono-disperse flows reveals a family of velocity profiles, including a Bagnold profile. Further validation is done by comparing with known particle scaling laws in literature. The force model shows that the mechanism of segregation is always present in dense granular flows and that mono-disperse flows are a unique case where it is not distinctly visible. The insights in this paper prove a fundamental new way of thinking about dense granular flows and its individual particles, opening the field for new research directions.
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Strongly Correlated Electrons
Emergent Electronic Bond-Order Wave in a Quasi-One-Dimensional Chain
Honghao Wang, Tristan R. Cao, Pedro Schlottmann et al. (+1 more)
Collective order is notoriously difficult to stabilize in one dimension, where strong fluctuations suppress
symmetry-breaking states. Here we report the emergence of an electronic bond-order wave (BOW) in the quasi-one-dimensional (1D) material Ba9Rh8O24, in which structural bonds become active electronic degrees of freedom that overcome 1D fluctuations to establish long-range order. Single-
crystal X-ray diffraction uncovers a striking inversion of inequivalent Rh-Rh bonds across a transition TA = 180 K, where short and long bonds interchange their identities rather than undergoing conventional Peierls dimerization. This bond inversion coincides with a heat-capacity anomaly and a profound reorganization of the dielectric response with strong suppression of dielectric loss upon cooling. The BOW exhibits strongly nonlinear, frequency-dependent I-V characteristics, clockwise hysteresis, and nonvolatile memristive switching. These findings uncover an unprecedented transformation from a dynamic bond
liquid to a rigid yet electrically reconfigurable BOW, establishing bond-centered electronic order as a new organizing principle for 1D
quantum matter.
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All authors Honghao Wang, Tristan R. Cao, Pedro Schlottmann, Gang Cao
Strongly Correlated Electrons
Tuning Charge Density Wave transitions through lattice strain in NbSe3
Antoine Gallo Frantz, Aleksander Sinchenko, Luc Ortega et al. (+7 more)
The Charge Density Wave (CDW) state is a perfect example of a combined structural and electronic state, both characterized by a periodic
lattice distortion and an electronic modulation of condensed electrons, resulting from electron-
phonon coupling. They are thus prone to be tuned by
lattice strain. NbSe3 is a prototypical example of CDW states, with a chain-like structure displaying two CDWs at 145K and 59K, with wavevectors along and inclined with respect to the chain axis b. Here, we report on the
evolution of the
lattice structure and CDW properties in the quasi-one-dimensional charge-density-wave system NbSe3 under tensile stresses applied along and perpendicular to the chains axis b by a combination of X-ray diffraction and transport measurements. We find that the
lattice structure show exotic Poissons coefficients and strongly anisotropic Youngs moduli while the
evolution of the electrical resistance demonstrates shifts of both charge-density-wave critical temperatures that are strongly correlated with the
lattice parameters. The two CDW transitions display different behaviours under applied stresses, and suggest that a modification of the band
curvature leads to the observed transport signatures.
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All authors Antoine Gallo Frantz, Aleksander Sinchenko, Luc Ortega, Pavel Grigoriev, Vladislav Kochev, Pierre Godard, Pierre Olivier Renault, Dominique Thiaudiere, David Le Bolloch, Vincent Jacques