Kai Wang, Junfeng Teng, Lei Zhang, Shuo Wang, Xinfang Jia, Haixia Cheng, Ping Qian
{"title":"Synergistic regulation of temperature and primary knock-on atom energy on irradiation damage evolution in tantalum: A molecular dynamics study.","authors":"Kai Wang, Junfeng Teng, Lei Zhang, Shuo Wang, Xinfang Jia, Haixia Cheng, Ping Qian","doi":"10.1088/1361-648X/aeb3e2","DOIUrl":"https://doi.org/10.1088/1361-648X/aeb3e2","url":null,"abstract":"<p><p>Tantalum is a candidate material for advanced nuclear systems, but its irradiation damage mechanisms remain unclear. Using molecular dynamics with the UNEP-v1-ZBL machine-learning potential, we simulated BCC Ta under 1-50 keV PKA irradiation at 300-900 K. Results show that threshold displacement energy decreases with temperature and exhibits anisotropy. Defect evolution displays strong energy-temperature coupling: low-energy cascades (≤5 keV) follow monotonic displacement chain behavior, while high-energy cascades (≥15 keV) are governed by competition between thermal spike formation and energy dissipation. Interstitial clusters outnumber vacancy clusters due to low migration energy and ⟨111⟩ diffusion. Cascade morphology controls final damage accumulation by modulating defect spatial distribution. These atomic-scale insights provide theoretical foundations for accurate damage modeling and radiation-resistant material design.</p>","PeriodicalId":520686,"journal":{"name":"Journal of physics. Condensed matter : an Institute of Physics journal","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149187836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"An Energy Integration Free Kubo-Bastin Formula Decomposition.","authors":"Ousmane Ly","doi":"10.1088/1361-648X/aeb3e3","DOIUrl":"https://doi.org/10.1088/1361-648X/aeb3e3","url":null,"abstract":"<p><p>Kubo formulae play a central role in modern spintronics and condensed matter physics, serving
as the foundational ground for studying transport responses in the linear regime. In this work, we
propose a reformulation of the widely used Kubo-Bastin decompositions that eliminates the need
for numerical energy integration. By performing these integrations analytically for generic periodic
systems, our approach significantly reduces computational cost and simplifies the calculation of
transport coefficients, while maintaining a clear distinction between the relevant Fermi-surface and
Fermi-sea transport components.</p>","PeriodicalId":520686,"journal":{"name":"Journal of physics. Condensed matter : an Institute of Physics journal","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149187798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Boundary memory in ultrafast field emission: a two-time quantum statistical theory.","authors":"Benat Gurrutxaga Lerma","doi":"10.1088/1361-648X/aeb343","DOIUrl":"https://doi.org/10.1088/1361-648X/aeb343","url":null,"abstract":"<p><p>Ultrafast field emission is usually modelled by evaluating the stationary tunnelling current at the instantaneous driving field. We show that this fails whenever the emitting surface has electronic structure near the Fermi level: the vacuum escape channel reacts back on the occupied boundary spectrum that feeds it, and because that spectrum relaxes on a finite timescale the emitted current carries memory of the field's recent history. Formulating the driven emission problem on the Keldysh contour and propagating the boundary Green functions with a material specific surface spectrum, we find two distinct kinds of memory: a traversal memory that filters and delays the carrier when the driving frequency approaches the tunnelling rate, and a spectral relaxation memory that suppresses and reshapes the current when a pulse drives a thin barrier emitter through the stationary overcoupling turnover. The second can dominate even when the barrier traversal is quasistatic, and predicts a current that falls while the instantaneous transparency still rises. Which memory governs a surface is set by its barrier thickness and its coupling to the vacuum, so the ultrafast waveform distinguishes emitters that the instantaneous theory treats alike.</p>","PeriodicalId":520686,"journal":{"name":"Journal of physics. Condensed matter : an Institute of Physics journal","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149169776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Relaxing bulk modulus in water: evidence from computer simulation of instantaneous compression.","authors":"Yu D Fomin, V V Brazhkin","doi":"10.1088/1361-648X/aea959","DOIUrl":"10.1088/1361-648X/aea959","url":null,"abstract":"<p><p>Water demonstrates numerous anomalies. One of them is the extremely large strength of positive sound dispersion (PSD), which means that the frequency dependent speed of sound strongly exceeds the hydrodynamics one. While in simple atomic melts the strength of PSD is of the order of dozen percents, in molecular liquids it is up to, it reaches as much asin water. The origin of such enormous PSD in water is discussed in the present paper. In the framework of molecular simulation methods it is shown that large PSD of water and supercooled silicon (two examples of anomalous liquids) is related to presence of slowly relaxing processes in such liquids which lead to strong frequency dependence of the bulk modulus.</p>","PeriodicalId":520686,"journal":{"name":"Journal of physics. Condensed matter : an Institute of Physics journal","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148993637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"From methanol to 1-nonanol: chain length effects on dielectric relaxation and dipolar correlations in linear alcohols.","authors":"Martina Požar","doi":"10.1088/1361-648X/aead3d","DOIUrl":"10.1088/1361-648X/aead3d","url":null,"abstract":"<p><p>The dielectric properties of a series of alcohols, from methanol to 1-nonanol, were studied using molecular dynamics simulations. Three commonly used force fields, the united atom OPLS and TraPPE and the all atom CHARMM, were employed to calculate the static dielectric constant, Kirkwood correlation factor, collective and single molecule dipole relaxation and the frequency domain dielectric spectra. All three force fields underestimate the static dielectric constant, with CHARMM and OPLS doing so by a near constant factor across the series, and TraPPE showing strong chain length dependence. The collective and single molecule dipole relaxation times grow significantly with the increase in the alkyl chain length, most prominently for CHARMM and more modestly for the two united-atom force fields. A dynamic Kirkwood factor, defined as the ratio of collective to single molecule dipole relaxation times, is introduced to connect the static and dynamic picture. This dynamic Kirkwood factor is shown to be systematically larger than its static counterpart and its growth with chain length in the CHARMM model mirrors the transition of the alkyl tail from a dynamic spectator to a dynamic governor. The results are discussed alongside available experimental data, highlighting the strengths and weaknesses of each force field in modeling the dielectric behavior of linear alcohols.</p>","PeriodicalId":520686,"journal":{"name":"Journal of physics. Condensed matter : an Institute of Physics journal","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149077144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Edge states in non-Hermitian photonic Chern insulators: remote excitation with a real-frequency point source.","authors":"Heming Shen, Yichen Li, Fanyong Liu, Xinyu Zhao, Maoxiong Zhao, Xinhua Hu","doi":"10.1088/1361-648X/aea72c","DOIUrl":"10.1088/1361-648X/aea72c","url":null,"abstract":"<p><p>The non-Hermitian skin effect provides a powerful approach for controlling wave localization beyond Hermitian systems. However, whether skin-localized modes in non-parity-time (PT)-symmetric photonic systems can be remotely excited by a single real-frequency source remains unclear. Here, we investigate this problem in a non-Hermitian photonic Chern insulator composed of gyromagnetic rods with dielectric gain and loss. By decomposing the non-Hermitian component into PT-symmetric and PT-symmetry-breaking parts characterized byand, we establish the relationship between eigenmodes and real-frequency excited fields through the imaginary part of the Bloch wave vector. We find that remote excitation is mainly determined by the ratio. For the structure studied here, more thanof the field intensity can be localized within the rightmost column of unit cells when. Our results provide insights into wave excitation in non-PT-symmetric systems and guide the design of non-Hermitian photonic devices.</p>","PeriodicalId":520686,"journal":{"name":"Journal of physics. Condensed matter : an Institute of Physics journal","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148973031","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Channel resolved field emission beyond the work function: a quantum statistical approach.","authors":"Benat Gurrutxaga Lerma","doi":"10.1088/1361-648X/aeb342","DOIUrl":"https://doi.org/10.1088/1361-648X/aeb342","url":null,"abstract":"<p><p>Cold field emission is almost universally analysed through the Fowler-Nordheim law, in which the metal enters only as a scalar work function and a free electron supply density. We show that the emitted current is instead controlled by the channel resolved overlap between the vacuum escape kernel and the occupied boundary spectral density of the metal, and that this overlap reorders the material rankings the standard theory predicts.
Formulating the emission problem on the Keldysh contour and integrating out the vacuum exterior of a conducting wedge yields an exact retarded vacuum self energy, whose boundary reduction expresses the stationary current as a trace pairing between an escape rate carrying the geometry and the barrier, and a boundary spectral density carrying the surface electronic structure. We evaluate this pairing from first principles across 38 surface orientations of 14 metals and compounds. Materials of nearly identical work function differ by up to an order of magnitude in emitted current, the leading emitters being those whose spectral weight lies in the transverse momentum channels that the vacuum selects most strongly. Surface orientation emerges as an important independent design variable, with facet to facet variations of up to a factor of about six that are almost entirely spectral in origin. On thin barrier surfaces the vacuum self energy depletes the boundary spectrum from which emission is drawn, and the channel resolved emission current exhibits a turnover as the field increases. Work function screening alone is an insufficient criterion for selecting field emitters.</p>","PeriodicalId":520686,"journal":{"name":"Journal of physics. Condensed matter : an Institute of Physics journal","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149169396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"General formulas for calculating the ballistic conductance of two-dimensional Dirac materials.","authors":"Mehdi Saeidi, Mahdi Esmaeilzadeh","doi":"10.1088/1361-648X/aeb341","DOIUrl":"https://doi.org/10.1088/1361-648X/aeb341","url":null,"abstract":"<p><p>One important electrical quantity in devices is the conductance; for systems on the mesoscopic scale and nanoscale, the conductance is given by the Landauer-Buttiker formalism. In this paper, by using the minimal Weyl Hamiltonian, a theoretical study on the ballistic conductance of two-dimensional (2D) Dirac materials is carried out, with the aim of deriving properties of the ballistic conductance. In addition, formulas for calculating and comparing the ballistic conductance of Dirac materials with diverse cones are given. Our study reveals that the ballistic conductance can be both isotropic and anisotropic, depending on the values of the Dirac cone characteristics (i.e., the anisotropy and tilt). The effects of the anisotropy and tilt of the Dirac cone on the ballistic conductance are investigated in detail. For the right Dirac cone, we show that the ballistic conductance in the x direction does not depend on the strength of the anisotropy of Dirac cone, while the ballistic conductance in the y direction varies inversely with the strength of anisotropy. We find that the ballistic conductance of the oblique Dirac cone is greater than that of the right Dirac cone. Also, when the strength of tilt increases, that is, when the Dirac cone becomes more tilted, the ballistic conductance rises. We also investigate symmetry properties of the ballistic conductance. This paper provides a new and deeper insight into properties of the ballistic conductance from massless Dirac fermions and can be useful for designing electronic devices with desired performance.</p>","PeriodicalId":520686,"journal":{"name":"Journal of physics. Condensed matter : an Institute of Physics journal","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149168520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Experiment-specific memory and relaxation structure in graphene transport: a kernel-first state-trajectory analysis.","authors":"Louis Hin Lok Tsang","doi":"10.1088/1361-648X/aeb218","DOIUrl":"https://doi.org/10.1088/1361-648X/aeb218","url":null,"abstract":"<p><p>Graphene transport experiments probe relaxation through different observables, timescales and measurement domains, making direct comparison of reported relaxation parameters difficult. Here we develop a kernel-first, provenance-constrained methodology for determining what aspects of relaxation structure can be identified from heterogeneous transport measurements before assigning them a common physical interpretation. The approach distinguishes measured, processed, fitted and theoretically derived quantities, and separates response magnitude, kernel sensitivity and experimentally observed state evolution.

The method is applied to three complementary graphene experiments. Frequency-resolved complex conductivity provides identifiable spectral relaxation descriptors and, where an admissible parametrisation is supported, permits explicit kernel-sensitivity and state-trajectory analysis. Ultrafast electronic heat spreading constrains an additional short-time response relative to an independently determined momentum-relaxation interval, but does not identify a unique kernel time. DC electrical and thermal measurements constrain integrated response weights, geometry dependence and a relative relaxation hierarchy without uniquely determining temporal kernel shape. The three experiments therefore occupy different levels of dynamical identifiability rather than providing interchangeable relaxation times.

A localized change in an effective-kernel trajectory is not by itself interpreted as a triggered process. The stronger test requires such a change to reproducibly predict an independently measured dynamical response. We propose a same-device, cross-domain experiment implementing this criterion across controlled state trajectories. The principal contribution is a general analysis methodology for determining what relaxation information heterogeneous measurements support and what additional evidence is required before state-dependent response is promoted to a physical mechanism.</p>","PeriodicalId":520686,"journal":{"name":"Journal of physics. Condensed matter : an Institute of Physics journal","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149140312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The spin-<i>S</i>Heisenberg antiferromagnet on the Shastry-Sutherland lattice.","authors":"Hiroki Nakano, Yuko Hosokoshi, Toru Sakai","doi":"10.1088/1361-648X/ae8e18","DOIUrl":"https://doi.org/10.1088/1361-648X/ae8e18","url":null,"abstract":"<p><p>Recent advances in the orthogonal-dimer spin-Heisenberg antiferromagnet are reviewed. This model has been examined for more than 40 years since it was originally studied by Shastry and Sutherland. The discovery of SrCu(BO)as a good candidate material for thesystem led to a considerable advancement in subsequent research. In the case whenis larger than 1/2, however, the elucidation of the properties of the system was relatively delayed. In the ground state of general-systems, interesting quantum phase transitions occur not only for. In this article, the systematic behavior depending onwhich has been recently clarified by unbiased and numerical computational calculations is reviewed. The effects due to spin anisotropy as determined from experimental and theoretical results are also overviewed. We also mention recent developments for thesystem.</p>","PeriodicalId":520686,"journal":{"name":"Journal of physics. Condensed matter : an Institute of Physics journal","volume":"38 40","pages":""},"PeriodicalIF":0.0,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149130229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}