Papers

We investigate the Higgs sector phenomenology of the minimal low scale quark-lepton unification theory. In addition to the Standard Model-like Higgs boson, the theory predicts a new CP-even neutral Higgs, a CP-odd neutral Higgs, and two charged Higgses, together with heavy right-handed neutrinos and leptoquarks. We analyze the scalar spectrum, the Yukawa structure responsible for charged-fermion masses, and the neutrino sector realized through an inverse-seesaw mechanism, emphasizing that the couplings of the new Higgs bosons are directly tied to the structure of matter unification and therefore lead to characteristic decay patterns dominated by third-generation fermions. We compute the branching ratios and production cross sections of the new Higgs states at the Large Hadron Collider (LHC) and assess their impact on present and future collider measurements. We find that current LHC data probe significant regions of parameter space for the neutral heavy Higgs bosons, with the strongest sensitivity arising from channels involving tau leptons, tops, and related final states, while the charged Higgs remains less constrained because of its electroweak production mechanism. Our results show that Higgs measurements provide a powerful and complementary probe of low-scale matter unification beyond direct leptoquark searches and open a new avenue for testing quark-lepton unification at present and future colliders, with discovery potential in high-luminosity LHC running.

In this paper, we present a data-driven artificial neural network (ANN) model for describing the double differential cross sections (DDCS) of neutron emission in nuclear spallation reactions. The ANN model is found to be precise, flexible, and efficient in predicting differential cross sections of nuclear reactions and in learning the complex dependence of neutron DDCS on the projectile energy ($T_p$), target nucleus ($A$ and $Z$), neutron energy ($T_n$), and neutron emission angle ($\theta_n$). The model is trained on replicas of experimental data that incorporate uncertainties. Several regularization schemes are examined during ANN training. The input variables of the constructed ANN framework are also investigated, and the following six key variables are selected for the input layer of the ANN model: $\theta_{n}$, ${\rm log}(T_n/T_p)$, $T_n/T_p$, ${\rm log}(T_p)$, $A^{2/3}$, and $N/Z$. The ANN predictions are compared with training data provided by various experimental collaborations, showing excellent agreement. The resulting model is further tested on test data with projectile energies, target nuclei, and neutron emission angles different from those in the training data, indicating strong predictive power and generalization capability of the ANN framework. As an illustration, the neutron DDCS as functions of $T_n$, $\theta_n$, and projectile energy $T_p$ are predicted and presented for copper target. The proposed high-precision ANN model is expected to be beneficial for accelerator-driven system (ADS) design and many other applications in nuclear physics, astrophysics, and nuclear technology development.

We propose a novel method for constructing ghost-free multi-field higher-derivative scalar-tensor theories. The idea is to start from spatially covariant gravity and couple it to an additional scalar field. The resulting spatially covariant scalar field theory can be understood as a bi-scalar-tensor theory in the unitary gauge of one scalar. Within a broad class in which metric velocities enter through the extrinsic curvature and the additional scalar enters through temporal derivatives up to second order, we perform a Hamiltonian constraint analysis. We show that the theory generally propagates five physical degrees of freedom (DOFs), i.e., two tensor modes and three scalar modes. One of the scalar modes is the unwanted mode associated with the additional scalar. We then derive a degeneracy condition and an additional consistency condition. When both conditions hold, the unwanted mode is eliminated and the theory propagates four degrees of freedom. The resulting theories fall into two cases, depending on whether the preservation of the tertiary constraint closes without a new constraint or generates a quaternary constraint. We also study the two-field disformal transformation, derive its invertibility condition, and express it in the unitary gauge. Our construction provides a systematic approach to constructing bi- and multi-scalar-tensor theories with higher derivatives.

We report the magnetic, magnetotransport, and electronic properties of the kagome ferromag net MgMn6Sn6 using magnetization, angle dependent magnetoresistance, x-ray magnetic circular dichroism (XMCD), angle resolved photoemission spectroscopy (ARPES), and first-principles cal culations. MgMn6Sn6 exhibits ferromagnetic ordering near TC=295 K with pronounced easy plane magnetic anisotropy. At low temperatures and low magnetic fields, the magnetoresistance (MR) is strongly anisotropic with respect to the magnetic field orientation, evolving from a predominantly negative MR for in-plane fields to a more quadratic behavior for out-of-plane fields. Angle depen dent measurements further reveal a pronounced twofold MR anisotropy with additional higher order contributions. The finite orbital-to-spin moment ratio revealed by XMCD suggests a significant role of spin-orbit coupling (SOC) in MgMn6Sn6. The first-principles calculations show a Dirac-like band crossing at the K point and a van Hove singularity (VHS) at the M point, as expected for kagome materials. ARPES measurements resolve a sixfold symmetric Fermi surface and its systematic evo lution with binding energy, in overall agreement with first-principles calculations. The measured band dispersions are also broadly consistent with the calculated multiband electronic structure. These results establish the connection between magnetic anisotropy, anisotropic magnetotransport, and the kagome derived electronic structure of MgMn6Sn6.

The high-recoil event reported by LUX–ZEPLIN motivates a neutral electroweak state with an inelastic splitting in the sub-MeV range. We propose supersymmetric 331 model from the supersymmetric $SU(6)$ GUT model, and we study the electroweakino sector relevant to this recoil. Above the $331$-breaking scale hypercharge is not an independent gauge factor, and the leading bino–wino cancellation is replaced by a relation between the physical $U(1)_X$ and $SU(3)_L$ gaugino invariants, $I_X=-I_L$. A singlet–adjoint gauge-kinetic source also correlates the colored invariant. We diagonalize the neutral gauge–Higgs fermion sector of the renormalizable model and determine the tree-level Higgsino splitting without introducing an effective bino mass by hand. The required solutions form a continuous locus in the gaugino and $331$-breaking parameters. At the reference point, the solution lies close to the leading sum rule, while variation of the $331$-breaking coupling moves the locus continuously. The same calculation tests the ordering of the additional neutral states, the gauge/gaugino contribution to the $331$-breaking scalar mass, and the gravitino ordering. We compare this construction with recent $SU(5)$, singlino-assisted, electroweak-multiplet, nuclear-response and solar-capture analyses of the LZ event.

Kinetic Ising models are widely used to describe binary opinion dynamics, but their microscopic validity has rarely been tested empirically. Here, we infer the transition probabilities governing opinion updates from a year-long online social network and show that they are accurately described by an Ising heat-bath dynamics. The inferred parameters admit a direct sociological interpretation: the external field quantifies intrinsic bias, the coupling strength measures social influence, and a persistence term captures temporal inertia. We further show that persistence is positively correlated with node degree, while both persistence and interaction strength are strongly correlated with global network heterogeneity and clustering. Using the inferred time-dependent parameters in Monte Carlo simulations on the empirical temporal networks, we accurately reproduce the observed response functions, flip probabilities, and macroscopic opinion dynamics. Within the Twitter climate debate, our results provide direct empirical support for a kinetic Ising description of online opinion formation and establish a quantitative link between microscopic social behavior and evolving network topology.

A rigorous implementation of energy-dependent ion- and electron-induced electron emission in a continuum-kinetic framework is used to reveal their effects on the scaling of plasma properties in the sheath with an applied bias potential to the walls. The approach comes with a novel methodology for modeling particle-induced electron emission (PIEE) that includes 1) improved fitting functions for the yield and spectra, 2) the use of SRIM and a summation of the Lindhard formula and a modified Bethe formula for obtaining accurate stopping powers, and 3) a binding energy correction to the PIEE spectra and ion-induced yield based on density functional theory (DFT) calculations. The emission models are implemented as a fully energy dependent and dynamic boundary condition. For this investigation, tungsten and graphite walls are studied for their relevance in magnetic fusion experiments. Equations are derived from fluid theory that predict the relative importance of ion- and electron-induced emission on the structure of the sheath. The simulations provide evidence for the theoretical predictions, showing that a transition from a classical to space-charge limited (SCL) sheath depends primarily on electron-induced emission. Furthermore, claims in previous literature of increased heat and particle loads to the walls due to electron emission are supported, however differing mechanisms for the increase are observed. The increased thermal and particle fluxes due to PIEE are primarily driven by collisional transfer of energy from emitted electrons in the presheath. Finally, quantitative predictions for the device modeled in this study coincide with previous modeling efforts and experimental measurements.

Adulteration of milk with water, urea, calcium compounds and starch is still a widespread food safety problem, especially in areas where there is no access to laboratory based chemical testing, and is a global threat to human food safety and security, especially for children and the elderly. We present the development of a reagent free screening method, based on droplet evaporative deposition method, optical microscopy, and quantitative image analysis, for consistent detection and classification of milk adulteration. Droplets of Single Toned ST, 3% fat, and Double Toned DT, 1.5% fat milk samples, adulterated with water, urea, calcium, and starch, respectively, at different concentrations were tested. Deposition patterns were characterized by image processing using radial intensity profile descriptors area under the curve, and edge decay slope and gray level co occurrence matrix GLCM texture features contrast, correlation, energy, homogeneity, and entropy. The descriptors exhibit consistent adulterant specific trends: water and urea adulteration resulted in increasingly smooth, more homogeneous deposits decreasing contrast, increasing homogeneity, while calcium and starch adulteration resulted in structurally rougher deposits increasing contrast, decreasing homogeneity. Urea was further distinguished in the two groups by a significant increase in homogeneity and entropy collapse at higher concentrations, whereas calcium and starch were distinguished by diverging area under curve AUC trends. Milk type ST vs. DT was resolved by a combined multivariate signature of the descriptors at baseline. Our findings show that a simple, two level feature based framework: first resolving milk type, then adulterant family, then specific adulterant identity can be realized entirely from optical microscopy data without additional chemical reagents.

Quantum circuit simulation often appears as repeated-run workloads rather than isolated circuits: variational quantum eigensolver (VQE) sweeps, noisy multishot studies, and quantum error correction (QEC) cycles revisit closely related structure across many runs. Existing simulators optimise individual executions well, but they largely ignore cross-task shared state and therefore repeat work that could be reused safely. We propose QuWARP, a planner-based workload optimiser for a bounded state of the art simulator execution surface: it performs workload-level planning over related tasks, identifies shared prefixes, and chooses when to materialize exact typed boundary artifacts for later reuse across the evaluated statevector mode, and stabilizer-hybrid mode. Its planner treats continuation legality as a narrow correctness guardrail, abstains when reuse is unprofitable, and keeps each reuse, abstention, or refusal decision auditable through EXPLAIN-style traces, meaning inspectable planner reports with provenance and realized-cost summaries. Across real world quantum application workloads QuWARP delivers 2.95x-32.84x speedups over this work's main direct per-task Qrack denominator on reuse-positive workloads. These results show workload-level reuse planning improves repeated-run simulation while keeping unsupported handoffs auditable and out of the execution path.

Pilot contamination is a major challenge in cell-free massive multiple-input multiple-output (MIMO) systems, where the limited number of orthogonal pilots makes pilot reuse unavoidable. Since the pilot assignment solution space grows exponentially with the number of users, finding the global optimum becomes computationally challenging on classical computers. Recent advances in quantum computing provide a promising approach for solving such large-scale combinatorial optimization problems. In this paper, we reformulate the assignment problem as a quantum-compatible optimization problem, enabling it to be directly solved by the Quantum Approximate Optimization Algorithm (QAOA). Specifically, the pilot contamination objective and assignment constraints are incorporated into the QAOA formulation. This allows the quantum search to focus on valid pilot assignments with low contamination cost. Simulation results show that the proposed method achieves performance close to exhaustive search, demonstrating the potential of quantum-assisted optimization for pilot assignment in future wireless systems.

Extending the orbital angular momentum (OAM) degree of freedom to slow electrons would open a distinct regime of low-energy electron-matter interactions. Using time-dependent density-functional theory, we demonstrate that laser-driven armchair carbon nanotubes (CNTs) can emit OAM-carrying slow electrons. A circularly polarized OAM-writing pulse promotes circumferential electronic motion and generates OAM about the tube axis; a delayed linearly polarized extraction pulse releases slow electrons carrying the injected angular momentum. We find much higher ionization yields and net emitted axial OAM in representative CNTs than in oriented CO2 and benzene under identical laser conditions. Increasing the tube diameter enhances the ionization yield and OAM substantially, and moreover, reversing the helicity of the OAM-writing pulse flips the sign of the emitted OAM. Together, these findings establish CNTs as a platform for slow-electron emission with optically controllable OAM.

Understanding nonequilibrium transport and fluctuations driven by nonclassical light in nonlinear quantum optical systems is challenging. Here, we formulate a driven quantum master equation in the rotating frame combined with full counting statistics, retaining the drive-induced frequency shifts in the system-reservoir interactions and providing a unified description of drive-assisted incoherent transitions based on the rotated system dressed-basis. Applied to a Kerr resonator and a nonlinear Jaynes-Cummings model, the approach reveals pronounced multiphoton-resonant enhancement of the drive input energy current, with significant high peaks under two-photon driving compared to the single-photon case. The two-photon resonance relations are analytically obtained. Resonance structure in the nonlinear Jaynes-Cummings model nonlinearly relies on qubit-photon couplings, with additional dressed-state branches. A low-energy-state approximation attributes the resonant current enhancement to dressed-state hybridization and efficient activation of incoherent energy exchange processes. Beyond the average current, two-photon-driving induced energy exchange picture near resonance also substantially modifies the second-order current fluctuation and higher-order current cumulant, while increasing the time-normalized signal-to-noise ratio. Adding two-photon loss introduces extra incoherent photon-pair exchange pathways and further reshapes the current and its fluctuations. We hope these results may deepen interpretation of photon driving and quantum dissipation cooperatively governing nonequilibrium energy transport and fluctuations.

The paper studies the optical properties of assemblies of metallic prolate and oblate nanospheroids. The frequency dependences of averaged absorption and scattering cross-sections, absorption, scattering and reflection coefficients are obtained. The calculations were performed for assemblies of spheroidal particles of various metals. The difference in the results of calculating the frequency characteristics of the absorption and scattering cross-sections for assemblies of prolate and oblate spheroids manifested itself in different location and value of the maxima. A qualitative similarity of the frequency dependences of the absorption and scattering coefficients was established. It is shown that the frequency curves of assemblies of spheroids of different metals differ significantly in the location of the extrema within the range from the visible to the ultraviolet region of the spectrum

We investigate the dynamics of nonclassicality, quantified by the Wigner Yanase skew information, in generalized Jaynes Cummings (JC) and Tavis Cummings (TC) models describing light matter interactions in cavity quantum electrodynamics. We first analyze a generalized JC model consisting of a single bosonic cavity mode coupled to a spin 1 atom, focusing on the temporal evolution of nonclassicality in both the cavity field and the atomic subsystem. We then extend this framework to a generalized TC model by introducing an additional spin $1/2$ atom, enabling us to examine the influence of collective atomic degrees of freedom. The global dynamics are investigated both with and without an $XY$ spin interaction. Our results show that, under resonance conditions, the system exhibits efficient excitation exchange between the cavity field and the atomic subsystem, resulting in regular, coherent nonclassicality dynamics and enhanced field nonclassicality generation. Conversely, an increasing longitudinal magnetic field acts primarily as an effective detuning parameter rather than a direct exchange interaction. In this off resonant regime, the atom field coupling is substantially weakened, localizing excitations within the atomic subsystem. This localization suppresses coherent energy transfer to the cavity field, leading to a pronounced reduction in field nonclassicality, while the atomic subsystem retains the majority of the quantum correlations. Notably, atomic superposition states exhibit highly irregular spin dynamics, reflecting a detuning-induced redistribution of quantum correlations. These findings demonstrate that the dynamics of spin and field nonclassicality are governed primarily by interaction mediated excitation flow and resonance conditions rather than the initial energy distribution alone, ..

We investigate square-lattice skyrmion crystal states in a centrosymmetric spin model with momentum-dependent magnetic interactions, including a uniform ferromagnetic interaction, easy-axis anisotropic interactions at two orthogonal finite wave vectors, higher-harmonic wave-vector interactions, and an external magnetic field. Using simulated annealing calculations, we determine the low-temperature magnetic phase diagram as functions of magnetic field and uniform ferromagnetic interaction strength. We find that the skyrmion crystal phase is stabilized at intermediate fields when the uniform ferromagnetic interaction is weak, exhibiting a noncoplanar double-$Q$ spin texture, finite scalar spin chirality, and higher-harmonic components. Increasing the uniform ferromagnetic interaction suppresses and eventually eliminates the skyrmion crystal phase through direct first-order transitions to the fully polarized state, whereas its weakening expands the skyrmion stability region and stabilizes a single-$Q$ conical spiral phase at high fields. These results clarify the mechanisms governing the square-lattice skyrmion formation in centrosymmetric magnets.

Recent discovery of reentrant superconductivity and elevated $T_c$ in Eu-substituted infinite-layer nickelates raises a critical question concerning the nature of Eu-4$f$ states and their potential interaction with Ni-$d$ electrons. Here we combine density functional theory with the dynamical mean-field theory (DFT+DMFT) calculations to investigate the valence and magnetic properties of Eu-ions in the nickelate 112 structure, explicitly treating the Coulomb repulsion in both Ni-3$d$ and Eu-4$f$ shells. We find a three-regime evolution of the Eu-4$f$ configuration driven by its Hund's rule coupling $J_{\rm H}$. The magnetic and mixed-valence Eu ionic state inferred by experiments only occurs for moderate $J_{\rm H}$, with coexisting local moments and strongly correlated $j=7/2$ quasiparticles, in contrast to the nonmagnetic state at small $J_{\rm H}$ and the fully spin-polarized divalent state at large $J_{\rm H}$. This local-itinerant duality arises from an effectively hole-doped orbital-selective Mott state induced by the intra-4$f$ charge transfer between $j=5/2$ and $7/2$ manifolds. It not only explains the origin of the mixed-valence and local moment behaviors of the Eu-ions observed experimentally, but also predicts low-energy 4$f$ quasiparticles that may hybridize with the Ni-3$d$ electrons and contribute to the elevated $T_c$. Our work provides a basis for understanding the unusual ferromagnetic and superconducting properties of Eu-substituted infinite-layer nickelates.

This work presents the $\textit{ab initio}$ calculations of the electronic energy spectrum of the In$_{4}$CdI$_{6}$ compound. The study was conducted within the framework of density functional theory (DFT), using local density approximation (LDA) and general gradient approximation (GGA) pseudopotentials, and the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional. The GGA approximation was implemented using the PBE and PBEsol exchange-correlation functional. Based on the electronic energy structure, the type of the minimum band gap was determined, and an analysis of the energy level dispersion for both the valence and conduction bands was performed. Furthermore, the effective masses of electrons ($\textit{m}_{c}$) and holes ($\textit{m}_{v}$) for In$_{4}$CdI$_{6}$ were established. The energy band analysis was complemented by the calculation of the density of states (DOS). Based on the electronic energy spectrum, the real and imaginary components of the dielectric function are calculated. Using the Kramers-Kronig relations, we also derive such fundamental optical functions of In$_{4}$CdI$_{6}$ as the refractive index $\textit{n}$, and the extinction coefficient $\textit{k}$.

Using density functional theory (DFT) with the ONCVVPSP pseudopotential and PBE functional, this study investigates the structural, electronic, elastic, optical, and thermoelectric properties of the trigonal LaBiO$_{3}$ perovskite oxide (space group R3c). Ground-state parameters lattice constant, volume, bulk modulus, and its pressure derivative were determined using the equation of state. Applying the Hubbard correction (GGA+U) revealed an indirect, wide band gap of 3.51 eV. Mechanical properties, including the anisotropy factor, elastic modulus, and Poisson's ratio, were calculated via the Voigt-Reuss-Hill averaging scheme. The bulk-to-shear modulus ratio identifies the trigonal phase as ductile. Additionally, Debye temperatures and sound velocities were computed. Optical characteristics (absorption coefficient, refractive index, and electron energy loss function) were evaluated across a 0-35 eV spectral range. Finally, semi-classical transport coefficients, including electrical conductivity, Seebeck coefficient, and power factor, were calculated to assess the material's thermoelectric potential.

Ab initio calculations of cubic perovskites RGaO$_3$ (R = Ho, Er, Tm) were performed using the full-potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT). We investigated their structural, electronic, magnetic, and optical properties in detail. In the optimized configurations, the lattice constants ranged from 3.83 to 3.85 A. The electronic band structures indicate that ErGaO$_3$ is semiconducting, whereas HoGaO$_3$ and TmGaO$_3$ exhibit half-metallic behavior, probably due to the interaction of spin-orbit coupling with the electronic states near the Fermi level. Optical response of half-metallic compounds (HoGaO$_3$,TmGaO$_3$) is strongly governed by their spin polarization electronic structure. The semiconducting spin channel absorbs ultraviolet photons, while metallic or small gap channel interacts with infrared light. This dual behavior enables spin selective optical excitation, relevant for spintronics and optoelectronics applications. These compounds show high surface reflectivity, with TmGaO$_3$ achieving a maximum reflectivity of 69%. Moreover, their optical conductivity mainly occurs at higher energies, indicating suitability for high-energy optoelectronic applications. The calculated magnetic moments suggest a robust ferromagnetic character across this series.

We study the minimum time for perfect state transfer under polynomial Hamiltonians with bounded degree and spectral width. For a strongly cospectral pair and width bound $W$, the optimum, when finite, is an integer multiple of $\pi/W$, determined by integer interpolation with prescribed parities. For equally spaced supported eigenvalues with alternating signs, we give degree bounds under which every minimizer is affine, and sharp asymptotics for each fixed exact degree. Near-minimizing phase polynomials satisfy a quantitative Chebyshev stability estimate. We determine the optimal transfer time for every degree bound on hypercubes of odd prime dimension. For complementary vertices of $J(2m,m)$, the optimal time at fixed spectral width grows exponentially in $m$ throughout an interval of feasible degrees. We also construct polynomial Hamiltonians showing that every feasible degree $m-t$ with $t=o(m)$ admits subexponential transfer time.

Diatomic molecules consisting of one spin-1/2 ($\sigma$) and one spin-1 ($S$) atoms are put at each site of the Bethe lattice (BL) of the coordination number $q=3, 4$, or 6. Alongside the ferromagnetic (FM) interactions of individual atoms within a molecule, the molecules are permitted to engage in ferromagnetic interactions with their nearest neighbors (NN) through diverse bilinear interaction parameters $J$. The spin-1 sites are also under the influence of crystal field $D$. The phase diagrams on the ($D, T$) planes for a given $q$ are obtained by investigating the thermal variations of magnetizations for the case with zero external magnetic field $(H)$. It is discovered that the phase diagrams rely on $q$ both qualitatively and quantitatively. The crystal field is also included which operates only on the spin-1 sites. Three separate FM phases are observed with ($\sigma,S$) being $(1/2,1), (1/2,0)$ at the ground state level and a phase region with small magnetization (SM) values at a higher temperature range. In addition to the reentrant behavior in the transition zone from one phase to the other, the model produces first- and second-order phase transitions. Additionally, the impact of $H$ on the magnetization curves is examined, yielding quite intriguing findings.

We use deep observations from the Einstein Probe Follow-up X-ray Telescope (EP-FXT) to investigate the gas distribution and thermodynamic properties of the cool-core galaxy cluster Abell 478 (A478) from the center out to $R_{200}$, and to examine its azimuthal asymmetry and the influence of local dynamical disturbances on hydrostatic mass estimates. We derive the surface-brightness, temperature, electron-density, pressure, entropy, and total mass profiles. The surface-brightness distribution is well described by a double-$\beta$ model, while the temperature profile shows the characteristic cool-core behavior, with a cool center, a rise toward intermediate radii, and a gradual decline in the outskirts. The hydrostatic mass profile is well fitted by a Navarro-Frenk-White model, yielding $R_{200}=2082\pm95$ kpc and $M_{200}=(1.12\pm0.15)\times10^{15}\,M_\odot$, indicating that the cluster is close to quasi-static equilibrium on global scales. Despite the globally regular structure, clear azimuthal asymmetry is present. The SW sector shows lower temperatures, higher densities, and lower entropies at intermediate and large radii, together with signatures consistent with a cold-front candidate. Combined with the two-dimensional temperature distribution, these features suggest local dynamical disturbance, likely associated with gas sloshing. A478 is therefore globally relaxed but locally disturbed, demonstrating that nonequilibrium structures can still affect thermodynamic measurements and hydrostatic mass estimates even in an apparently regular cool-core cluster.

The effect of B homopolymer adding on the aggregation behavior of amphiphilic coil/rod/coil BAB triblock copolymers was studied using lattice self-consistent field theory. It depends on the length of the hydrophobic rod block and copolymer concentration. Compared with the solutions, at low concentrations, homopolymer addition is favorable to the emergence of cubic and large lamellar micelles. Although it enriches the structural behavior, the rearrangement is suppressed. As rod blocks increase, the rearrangement is related to the orientation-dependent diffusion and inverse diffusion processes. At relatively high concentrations, adding homopolymers promotes rearrangement. For long rod block case, the arrangements related to inverse laminarization and the cooperative growth emerges. At high concentrations, for short rod block system, homopolymer addition is advantageous to micelle rearrangement concerned with order/disorder transition, and the rearrangements in the system of intermediate length and long rod blocks are suppressed. This work aids in understanding of the growth mechanism of micelles with rigid block cores.

In this work we study peculiarities of spatial rearrangement of solute and vacancy concentrations in Zr-Sn alloy at stages of both thermal treatment of solid solution and irradiation of annealed alloy under reactor conditions. To this end, we exploit phase field modelling including reaction rate theory and CALPHAD method combined in one generalized approach. Simulations were done in 3D in order to get a detailed information about rearrangement of solutes and defects in a bulk. We discuss the emergence of the secondary phase at the stage of thermal treatment and its stability under neutron irradiation. We analyze an influence of the irradiation dose onto statistical properties of the secondary phase particles.

The microscopic approach of the triaxial projected shell model (TPSM) is employed to investigate the properties of the $8^-$ isomer in the six isotones of $^{128}$Xe, $^{130}$Ba, $^{132}$Ce, $^{134}$Nd, $^{136}$Sm, and $^{138}$Gd. The observed decay pattern of the isomer for these isotones is unexpected with the hindrance factor decreasing with atomic number. It is shown in the present work that multi-quasiparticle mixing into the ground-state configuration is responsible for the observed decreasing trend of the hindrance factor. We have also calculated the excitation energies and in-band $B(E2)$ transition probabilities of the yrast and the band built on the $8^-$ isomer for the six isotones, and it is shown that TPSM approach reproduces the measured quantities quite satisfactorily.

Exponential potentials were used since Kramers, Hellman, Glauberman, Yukhnovskii and Kelbg for solving problems of quantum chemistry, ionic solutions and plasmas. Here we develop the theory further and add new results, in particular with respect to the quantum-statistical theory. In particular, we derive the Kelbg quantum potential for the exponential interactions and discuss screening as well as the problem of thermodynamic stability. Further we give new applications to a qualitative theory of alkali plasmas and fusion plasmas. We show that the exponential potential and the early analytical results of Yukhnovskii and Kelbg allow a qualtative analytical treatment of such difficult problems as the phase transitions in electrolytes and alkali plasmas.

We explore composition dependence of the principal properties of liquid dimethylsulfoxide (DMSO)-methanol (MeOH) liquid mixtures by using molecular dynamics computer simulations. A set of non-polarizable semi-flexible models for the DMSO molecule combined with methanol models is investigated. Composition trends of density, excess mixing volume and excess mixing enthalpy are evaluated. Besides, we study the composition dependence of self-diffusion of species and shear viscosity ofthe static dielectric constant and the surface tension.Certain aspects of the microscopic structure are analyzedin terms of radial distribution functions and of the average number of hydrogen-bonded molecules. The quality of several combinations of the models is illustrated and critically evaluated by comparisons with experimental data.

We investigate spin-dependent transport in a non-collinear helical antiferromagnet in the presence of spin-orbit coupling within a tight-binding framework. Using the Landauer-Büttiker formalism, we analyze the generation of spin polarization arising from the combined effects of the helical magnetic texture and spin-orbit interaction. We find that finite spin polarization can be generated simultaneously along the $\hat{x}$, $\hat{y}$, and $\hat{z}$-directions, in contrast to the predominantly single-axis spin polarization commonly observed in conventional spin-filtering systems. The multidirectional spin polarization originates from the symmetry breaking introduced by the non-collinear magnetic order. We further show that the spin polarization is modified significantly in the presence of spin-orbit coupling and it has strong dependence on the parameters associated with the helical system. In particular, long-range hopping significantly enhances the spin-filtering effect, leading to large spin polarization components along all three spatial directions.

Attosecond charge migration (CM) is an ultrafast process occurring when a molecule is irradiated by ultrashort laser pulses, creating a localized hole. The hole propagates rapidly through the molecule, generating electric currents and transferring charge across the molecular backbone. CM is a key ingredient in solar energy conversion, photosynthesis, and radiation damage. Despite its importance and intensive research, the fundamental physical and chemical mechanisms of CM remain not fully understood. Especially, a deeper insight into the role correlations play in the dynamics, and which chemical attributes determine CM timescales, is needed. Here we study with ab-initio time-dependent density functional theory CM in the benchmark molecule, BrC$_4$H. We thoroughly explore CM under different initial conditions at the electronic and structural levels, including with theories of varying degrees of electronic correlations. We uncover a universal behavior where the hole moment (connecting to experimental observables) dominant frequency is roughly independent of all of these characteristics. In contrast, the timescales of the hole density evolution do vary with the chemical conditions and level of correlations. Employing a semi-analytical theory that reconstructs the hole moments in the cationic reference frame, we show that the attosecond timescale of CM is determined by molecular dipoles that filter out specific frequency responses with an analogy to optical selection rules. Our results provide essential insight into CM physics, which should be useful for interpreting attosecond experiments and engineering CM timescales by tailoring transition dipoles.

Polymer properties emerge from interactions across scales, yet existing polymer models typically preserve either detailed monomer chemistry without an explicit polymer graph or polymer connectivity with simplified monomer representations, due to computational constraints, as polymers typically contain tens of thousands of atoms. We present Uni-Macro-FRPN (FRPN), a Full-Resolution Polymer Network that retains both detailed atom-level and monomer-level features and explicit polymer structure information within a unified framework. Two Transformers jointly learn atom-informed monomer semantics, sequence order, and chain topology from BigSMILES-derived representations. On the Block Copolymer Database (BCDB) lamellar-versus-non-lamellar classification task, FRPN achieves 86.4% accuracy and 90.6% ROC-AUC, establishing state-of-the-art performance. Ablation results indicate that the gain is not explained solely by increased parameter count. On a linear homopolymer benchmark, monomer-centric learning remains competitive, highlighting a boundary case where polymer-scale organization is simple. To test generalization beyond linear polymers, we further construct an all-atom molecular-dynamics benchmark of 1640 datapoints spanning diverse monomer chemistries, sequence orderings, chain topologies, and physical properties. FRPN achieves the strongest overall performance on this topology-rich benchmark, with diagnostics supporting the benefit of jointly modeling monomer chemistry and polymer structure. Taken together, FRPN provides a practical route for moving polymer representation learning beyond monomer-centric representations. The leading performance of FRPN also suggests a promising direction for polymer informatics: future polymer prediction models should treat polymers not only as collections of monomer descriptors, but as complete multiscale chemical and topological objects.