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Ground states of stealthy hyperuniform potentials. II. Stacked-slider phases

Physical Review E 2015年第2期92卷 022120-022120页

作者： G. Zhang F. H. Stillinger S. Torquato Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

Stealthy potentials, a family of long-range isotropic pair potentials, produce infinitely degenerate disordered ground states at high densities and crystalline ground states at low densities in d-dimensional Euclidean space Rd. In the previous paper in this series, we numerically studied the entropically favored ground states in the canonical ensemble in the zero-temperature limit across the first three Euclidean space dimensions. In this paper, we investigate using both numerical and theoretical techniques metastable stacked-slider phases, which are part of the ground-state manifold of stealthy potentials at densities in which crystal ground states are favored entropically. Our numerical results enable us to devise analytical models of this phase in two, three, and higher dimensions. Utilizing this model, we estimated the size of the feasible region in configuration space of the stacked-slider phase, finding it to be smaller than that of crystal structures in the infinite-system-size limit, which is consistent with our recent previous work. In two dimensions, we also determine exact expressions for the pair correlation function and structure factor of the analytical model of stacked-slider phases and analyze the connectedness of the ground-state manifold of stealthy potentials in this density regime. We demonstrate that stacked-slider phases are distinguishable states of matter; they are nonperiodic, statistically anisotropic structures that possess long-range orientational order but have zero shear modulus. We outline some possible future avenues of research to elucidate our understanding of this unusual phase of matter.

关键词： GROUND state (Quantum mechanics) ENERGY levels (Quantum mechanics) EUCLIDEAN domains MOLECULAR dynamics QUANTUM entropy

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Characterization of maximally random jammed sphere packings. II. Correlation functions and density fluctuations

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Physical Review E 2016年第2期94卷 022152-022152页

作者： Michael A. Klatt Salvatore Torquato Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

In the first paper of this series, we introduced Voronoi correlation functions to characterize the structure of maximally random jammed (MRJ) sphere packings across length scales. In the present paper, we determine a variety of different correlation functions that arise in rigorous expressions for the effective physical properties of MRJ sphere packings and compare them to the corresponding statistical descriptors for overlapping spheres and equilibrium hard-sphere systems. Such structural descriptors arise in rigorous bounds and formulas for effective transport properties, diffusion and reactions constants, elastic moduli, and electromagnetic characteristics. First, we calculate the two-point, surface-void, and surface-surface correlation functions, for which we derive explicit analytical formulas for finite hard-sphere packings. We show analytically how the contact Dirac delta function contribution to the pair correlation function g2(r) for MRJ packings translates into distinct functional behaviors of these two-point correlation functions that do not arise in the other two models examined here. Then we show how the spectral density distinguishes the MRJ packings from the other disordered systems in that the spectral density vanishes in the limit of infinite wavelengths; i.e., these packings are hyperuniform, which means that density fluctuations on large length scales are anomalously suppressed. Moreover, for all model systems, we study and compute exclusion probabilities and pore size distributions, as well as local density fluctuations. We conjecture that for general disordered hard-sphere packings, a central limit theorem holds for the number of points within an spherical observation window. Our analysis links problems of interest in material science, chemistry, physics, and mathematics. In the third paper of this series, we will evaluate bounds and estimates of a host of different physical properties of the MRJ sphere packings that are based on the structural

关键词： Jamming

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Detailed characterization of rattlers in exactly isostatic, strictly jammed sphere packings

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Physical Review E 2013年第6期88卷 062208-062208页

作者： Steven Atkinson Frank H. Stillinger Salvatore Torquato Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

We generate jammed disordered packings of 100≤N≤2000 monodisperse hard spheres in three dimensions whose strictly jammed backbones are demonstrated to be exactly isostatic with unprecedented numerical accuracy. This is accomplished by using the Torquato-Jiao (TJ) packing algorithm as a means of studying the maximally random jammed (MRJ) state. The rattler fraction of these packings converges towards 0.015 in the infinite-system limit, which is markedly lower than previous estimates for the MRJ state using the Lubachevsky-Stillinger protocol. This is because the packings that the TJ algorithm creates are closer to the true MRJ state, as shown using bond-orientational and translational order metrics. The rattler pair correlation statistics exhibit strongly correlated behavior contrary to the conventional understanding that they be randomly (Poisson) distributed. Dynamically interacting “polyrattlers” may be found imprisoned in shared cages as well as interacting through “bottlenecks” in the backbone and these clusters are mainly responsible for the sharp increase in the rattler pair correlation function near contact. We discover the surprising existence of polyrattlers with cluster sizes of up to five rattlers (which is expected to increase with system size) and present a distribution of polyrattler occurrence as a function of cluster size and system size. We also enumerate all of the rattler interaction topologies we observe and present images of several examples, showing that MRJ packings of monodisperse spheres can contain large rattler cages while still obeying the strict jamming criterion. The backbone spheres that encage the rattlers are significantly hypostatic, implying that correspondingly hyperstatic regions must exist elsewhere in these isostatic packings. We also observe that rattlers in hard-sphere packings share an apparent connection with the low-temperature two-level system anomalies that appear in real amorphous insulators and semiconductors.

关键词： ISOSTATIC pressing SPHERE packings MONODISPERSE colloids DISTRIBUTION (Probability theory) PARTICLE size distribution INFINITY (mathematics)

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Diffusion spreadability as a probe of the microstructure of complex media across length scales

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Physical Review E 2021年第5期104卷 054102-054102页

作者： Salvatore Torquato Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

Understanding time-dependent diffusion processes in multiphase media is of great importance in physics, chemistry, materials science, petroleum engineering, and biology. Consider the time-dependent problem of mass transfer of a solute between two phases and assume that the solute is initially distributed in one phase (phase 2) and absent from the other (phase 1). We desire the fraction of total solute present in phase 1 as a function of time, S(t), which we call the spreadability, since it is a measure of the spreadability of diffusion information as a function of time. We derive exact direct-space formulas for S(t) in any Euclidean space dimension d in terms of the autocovariance function as well as corresponding Fourier representations of S(t) in terms of the spectral density, which are especially useful when scattering information is available experimentally or theoretically. These are singular results because they are rare examples of mass transport problems where exact solutions are possible. We derive closed-form general formulas for the short- and long-time behaviors of the spreadability in terms of crucial small- and large-scale microstructural information, respectively. The long-time behavior of S(t) enables one to distinguish the entire spectrum of microstructures that span from hyperuniform to nonhyperuniform media. For hyperuniform media, disordered or not, we show that the “excess” spreadability, S(∞)−S(t), decays to its long-time behavior exponentially faster than that of any nonhyperuniform two-phase medium, the “slowest” being antihyperuniform media. The stealthy hyperuniform class is characterized by an excess spreadability with the fastest decay rate among all translationally invariant microstructures. We obtain exact results for S(t) for a variety of specific ordered and disordered model microstructures across dimensions that span from hyperuniform to antihyperuniform media. Moreover, we establish a remarkable connection between the spreadability

关键词： Complex systems

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Ground states of stealthy hyperuniform potentials: I. Entropically favored configurations

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Physical Review E 2015年第2期92卷 022119-022119页

Systems of particles interacting with “stealthy” pair potentials have been shown to possess infinitely degenerate disordered hyperuniform classical ground states with novel physical properties. Previous attempts to sample the infinitely degenerate ground states used energy minimization techniques, introducing algorithmic dependence that is artificial in nature. Recently, an ensemble theory of stealthy hyperuniform ground states was formulated to predict the structure and thermodynamics that was shown to be in excellent agreement with corresponding computer simulation results in the canonical ensemble (in the zero-temperature limit). In this paper, we provide details and justifications of the simulation procedure, which involves performing molecular dynamics simulations at sufficiently low temperatures and minimizing the energy of the snapshots for both the high-density disordered regime, where the theory applies, as well as lower densities. We also use numerical simulations to extend our study to the lower-density regime. We report results for the pair correlation functions, structure factors, and Voronoi cell statistics. In the high-density regime, we verify the theoretical ansatz that stealthy disordered ground states behave like “pseudo” disordered equilibrium hard-sphere systems in Fourier space. The pair statistics obey certain exact integral conditions with very high accuracy. These results show that as the density decreases from the high-density limit, the disordered ground states in the canonical ensemble are characterized by an increasing degree of short-range order and eventually the system undergoes a phase transition to crystalline ground states. In the crystalline regime (low densities), there exist aperiodic structures that are part of the ground-state manifold but yet are not entropically favored. We also provide numerical evidence suggesting that different forms of stealthy pair potentials produce the same ground-state ensemble in the zero-temperatur

关键词： THERMODYNAMIC equilibrium PROBABILITY theory QUANTUM spin models MOLECULAR dynamics QUANTUM entropy

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Ultrahigh-Pressure Equation of State for Copper at 0 K

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Chinese physics Letters 2008年第9期25卷 3350-3352页

作者：王晓路高翔马桂存颜君张文清李家明 Department of Physics Shanghai Key Laboratory for Laser Fabrication and Material Science Shanghai Jiaotong University Shanghai 200240 Institute of Applied Physics and Computational Mathematics Beijing 100088 State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of Ceramics Chinese Academy of Sciences Shanghai 200050 The Key Laboratory of Atomic and Molecular Nanosciences of the Ministry of Education Department of Physics Tsinghua University Beijing 100084

Based on the first-principles all-electron full-potential augmented-plane-wave plus local orbital method, an equation of state （EOS） at OK for copper up to 10000 GPa （10^8 bar） is presented. Our recommended EOS is in good agreement with the available experimental data. Furthermore, the agreement between theoretical EOS of hcp and fcc lattices at extremely compressed condition sets the foundation of spherical atom models for high density and high temperate plasmas.

关键词： the power-law exponents precipitation durative abrupt precipitation change

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On the mechanism of nucleation in pulsed-laser quenched Si films on Si02

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作者： Deng, Y. Hu, Q. Chung, U.J. Chitu, A.M. Limanov, A.B. Im, James S. Program in Materials Science and Engineering Department of Applied Physics and Applied Mathematics Columbia University New York NY 10027 United States

ISBN: (纸本)9781605112220

We have investigated the solid nucleation mechanism in laser-quenched Si films on SiO2. Previously neglected experimental steps, consisting of BHF-etching and irradiation in vacuum, were implemented to reduce potential extrinsic influences. The resulting experimental findings and computational analysis lead us to conclude that solid nucleation consistently takes place heterogeneously at, and only at, the bottom liquid Si-SiO2 interface. © 2010 Materials Research Society.

关键词： Nucleation

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Measurement of Carrier-Envelope Phase and Field Strength of a Few-Cycle Pulse by Non-sequential Double Ionization

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Chinese physics Letters 2009年第10期26卷 117-120页

作者：李洪云陈京蒋红兵刘杰傅盘铭龚旗煌严宗朝王兵兵 Laboratory of Optical Physics Belting National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100080 Department of Physics State Key Laboratory for Artificial Microstructures and Mesoscopic Physics Peking University Beijing 100871 Center for Nonlinear Studies Institute of Applied Physics and Computational Mathematics Beijing 100088 Department of Physics University of New Brunswick PO Box 4400 Fredericton New Brunswick E3B 5A3 Canada Center for Theoretical Atomic and Molecular Physics the Academy of Fundamental and Interdisciplinary Sciences Harbin Institute of Technology Harbin 150080 Center for Applied Physics and Technology Petting University Beijing 100876

We propose a method to measure the carrier-envelop phase （CEP） and the intensity of a few-cycle pulse by controlling the non-sequentiai double ionization （NSDI） process. By using an additional static electric field, we can change the momentum distribution of the double-charged ions parallel to the laser polarization from an asymmetrical double-hump structure to a nearly symmetrical one. It is found that the ratio between the strength of the static electric field and that of the laser field is sensitive to the CEP but robust against the intensity fluctuation. Therefore we can determine the OEP of a few-cycle pulse precisely by measuring the static electric field. Fhrthermore, if the CEP of the few-cycle pulse is fixed at a certain value, we can also calibrate the intensity of the laser pulse by the static electric field.

关键词： sea surface nonliear interaction numerical method

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An improved filtered spherical harmonic method for transport calculations

An improved filtered spherical harmonic method for transport...

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International Conference on mathematics and computational Methods applied to Nuclear Science and Engineering, M and C 2013

作者： Ahrens, Cory Merton, Simon Department of Applied Mathematics and Statistics Colorado School of Mines Golden CO 80401 United States Computational Physics Group AWE Aldermaston Berkshire United Kingdom

ISBN: (纸本)9781627486439

Motivated by the work of R. G. McClarren, C. D. Hauck, and R. B. Lowrie on a filtered spherical harmonic method, we present a new filter for such numerical approximations to the multi-dimensional transport equation. In several test problems, we demonstrate that the new filter produces results with significantly less Gibbs phenomena than the filter used by McClarren, Hauck and Lowrie. This reduction in Gibbs phenomena translates into propagation speeds that more closely match the correct propagation speed and solutions that have fewer regions where the scalar flux is negative.

关键词： Spheres

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Fully relativistic many-body perturbation energies,transition properties,and lifetimes of lithium-like iron Fe XXIV

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Chinese physics B 2023年第10期32卷 90-99页

作者：李双赵敏刘国庆胡昌宝潘国柱 School of Electrical and Opto-electronic Engineering West Anhui UniversityLu'an 237012China College of Mechanical and Electronic Engineering Fujian Agriculture and Forestry UniversityFuzhou 350002China Institute of Applied Physics and Computational Mathematics Beijing 100088China Shanghai EBIT Laboratory Institute of Modern PhysicsDepartment of Nuclear Science and TechnologyFudan UniversityShanghai 200433China

Employing the advanced relativistic configuration interaction(RCI)combined with the many-body perturbation theory(RMBPT)method,we report energies and lifetime values for the lowest 35 energy levels from the(1s^(2))nl configurations(where the principal quantum number n=2–6 and the angular quantum number l=0,...,n-1)of lithium-like iron Fe XXIV,as well as complete data on the transition wavelengths,radiative rates,absorption oscillator strengths,and line strengths between the *** the allowed(E1)and forbidden(magnetic dipole M1,magnetic quadrupole M2,and electric quadrupole E2)ones are *** detailed comparisons with previous results,we assess the overall accuracies of present RMBPT results to be likely the most precise ones to *** interaction effects are found to be very important for the energies and radiative properties for the *** present RMBPT results are valuable for spectral line identification,plasma modeling,and diagnosing.

关键词： relativistic many-body perturbation multi-reference configuration radiative rates lifetime

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