检索结果-内蒙古大学图书馆

Correlations in interacting electron liquids: Many-body statistics and hyperuniformity

Physical Review B 2024年第10期110卷 104201页

作者： Haina Wang Rhine Samajdar Salvatore Torquato Department of Chemistry Department of Physics Princeton Center for Theoretical Science Princeton Materials Institute Program in Applied and Computational Mathematics

Disordered hyperuniform many-body systems are exotic states of matter with novel optical, transport, and mechanical properties. These systems are characterized by an anomalous suppression of large-scale density fluctuations compared to ordinary liquids. The structure factor of disordered hyperuniform systems often obeys the scaling relation S(k)∼Bkα with B,α>0 in the limit k→0. Ground states of d-dimensional free fermionic gases, which are fundamental models for many metals and semiconductors, are key examples of quantum disordered hyperuniform states with important connections to random matrix theory. However, the effects of electron-electron interactions as well as the polarization of the electron liquid on hyperuniformity have not been explored thus far. In this paper, we systematically address these questions by deriving the analytical small-k behaviors (and, associated, α and B) of the total and spin-resolved structure factors of quasi-one-dimensional, two-dimensional, and three-dimensional electron liquids for varying polarizations and interaction parameters. We validate that these equilibrium disordered ground states are hyperuniform, as dictated by the fluctuation-compressibility relation. Interestingly, free fermions, partially polarized interacting fermions, and fully polarized interacting fermions are characterized by different values of the small-k scaling exponent α and coefficient B. In particular, partially polarized fermionic liquids exhibit a unique form of multihyperuniformity, in which the net configuration exhibits a stronger form of hyperuniformity (i.e., larger α) than each individual spin component. The detailed theoretical analysis of such small-k behaviors enables the construction of corresponding equilibrium classical systems under effective one- and two-body interactions that mimic the pair statistics of quantum electron liquids. Our paper thus reveals that highly unusual hyperuniform and multihyperuniform states can be achieved in simple

关键词： Electronic structure Quantum many-body systems Two-dimensional electron gas

来源：评论

学校读者我要写书评

暂无评论

Ordered and disordered stealthy hyperuniform point patterns across spatial dimensions

引用

Physical Review Research 2024年第3期6卷 033260页

作者： Peter K. Morse Paul J. Steinhardt Salvatore Torquato Department of Chemistry Department of Physics Princeton Institute of Materials Princeton Center for Theoretical Science Program in Applied and Computational Mathematics

In previous work [Phys. Rev. X 5, 021020 (2015)] it was shown that stealthy hyperuniform systems can be regarded as hard spheres in Fourier space in the sense that the structure factor is exactly zero in a spherical region around the origin in analogy with the pair-correlation function of real-space hard spheres. While this earlier work focused on spatial dimensions d=1–4, here we extend the analysis to higher dimensions in order to make connections to high-dimensional sphere packings and the mean-field theory of glasses. We exploit this correspondence to confirm that the densest Fourier-space hard-sphere system is that of a Bravais lattice in contrast to real-space hard spheres, whose densest configuration is conjectured to be disordered. In passing, we give a concise form for the position of the first Bragg peak. We also extend the virial series previously suggested for disordered stealthy hyperuniform systems to higher dimensions in order to predict spatial decorrelation as a function of dimension. This prediction is then borne out by numerical simulations of disordered stealthy hyperuniform ground states in dimensions d=2–8, which have only recently been made possible due to a highly parallelized algorithm.

关键词： Classical statistical mechanics Disordered systems

来源：评论

学校读者我要写书评

暂无评论

An Iterative Thresholding Method for the Minimum Compliance Problem

引用

Communications in computational Physics 2023年第4期33卷 1189-1216页

作者： Luyu Cen Wei Hu Dong Wang Xiaoping Wang Department of Mathematics Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina The Program in Applied and Computational Mathematics Princeton UniversityPrincetonNew JerseyUSA School of Science and Engineering The Chinese University of Hong KongShenzhenGuangdong 518172China Shenzhen International Center for Industrial and Applied Mathematics Shenzhen Research Institute of Big DataGuangdong 518172China

In this paper,we propose a simple energy decaying iterative thresholding algorithm to solve the two-phase minimum compliance *** material domain is implicitly represented by its characteristic function,and the problem is formulated into a minimization problem by the principle of minimum complementary *** prove that the energy is decreasing in each *** effective continuation schemes are proposed to avoid trapping into the local *** results on 2D isotropic linear material demonstrate the effectiveness of the proposed methods.

关键词： Minimum compliance convolution thresholding linear elasticity

来源：评论

学校读者我要写书评

暂无评论

Thermal disorder and phonon softening in the ferroelectric phase transition of lead titanate

引用

Physical Review B 2025年第9期111卷 094113-094113页

作者： Pinchen Xie Yixiao Chen Weinan E Roberto Car Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA AI for Science Institute Beijing China and Center for Machine Learning Research and School of Mathematical Sciences Peking University Beijing China

We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional theory data with modern machine learning techniques. Our simulations demonstrate that the transition has a strong order-disorder character, in agreement with diffraction experiments, and provide fresh insight into the approach to equilibrium across the phase transition. We find that the emergence and disappearance of the macroscopic polarization is driven by dipolar switching at the nanometer scale. We also computed the infrared optical absorption spectra in both the ferroelectric and the paraelectric phases, finding good agreement with the experimental Raman frequencies. Often, the almost ideal displacive character of the soft mode detected by Raman scattering in the paraelectric phase has been contrasted with the order-disorder character of the transition suggested by diffraction experiments. We settle this issue by showing that the soft mode coexists with a strong Debye relaxation associated with thermal disordering of the dipoles. The Debye relaxation feature is centered at zero frequency and appears near the transition temperature in both the ferroelectric and the paraelectric phases.

关键词： Ferroelectricity

来源：评论

学校读者我要写书评

暂无评论

Thermal disorder and phonon softening in the ferroelectric phase transition of lead titanate

arXiv

引用

arXiv 2024年

作者： Xie, Pinchen Chen, Yixiao Weinan, E. Car, Roberto Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States AI for Science Institute Beijing China Center for Machine Learning Research School of Mathematical Sciences Peking University Beijing China Department of Chemistry Department of Physics Program in Applied and Computational Mathematics Princeton Materials Institute Princeton University PrincetonNJ08544 United States

We report an extensive molecular dynamics study of ab-initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional theory data with modern machine learning techniques. Our simulations demonstrate that the transition has a strong order-disorder character, in agreement with diffraction experiments, and provide fresh insight into the approach to equilibrium upon crossing the transition temperature. We find that the macroscopic polarization appears/disappears due to dipolar switching at the nanometer scale. We also compute the infrared optical absorption spectra in both the ferroelectric and the paraelectric phases, finding good agreement with the experimental Raman frequencies. For a long time, the almost ideal displacive character of the soft mode detected by Raman scattering in the paraelectric phase has been contrasted with the order-disorder character of the transition suggested by diffraction. We settle this issue by showing that the soft mode coexists with a strong Debye relaxation due to the thermal disordering of the dipoles. The Debye relaxation feature is centered at zero frequency and appears near the transition temperature in both the ferroelectric and the paraelectric phases. © 2024, CC BY.

关键词： Ferroelectricity

来源：评论

学校读者我要写书评

暂无评论

Dynamic Measure of Hyperuniformity and Nonhyperuniformity in Heterogeneous Media via the Diffusion Spreadability

引用

Physical Review applied 2022年第3期17卷 034022-034022页

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

Time-dependent interphase diffusion processes in multiphase heterogeneous media are ubiquitous phenomena in physics, chemistry and biology. Examples of heterogeneous media include composites, geological media, gels, foams, and cell aggregates. The recently developed concept of spreadability, S(t), provides a direct link between time-dependent diffusive transport and the microstructure of two-phase media across length scales [Torquato, S., Phys. Rev. E., 104 054102 (2021)]. To investigate the capacity of S(t) to probe microstructures of real heterogeneous media, we explicitly compute S(t) for well-known two-dimensional and three-dimensional idealized model structures that span across nonhyperuniform and hyperuniform classes. Among the former class, we study fully penetrable spheres and equilibrium hard spheres, and in the latter class, we examine sphere packings derived from “perfect glasses,” uniformly randomized lattices (URLs), disordered stealthy hyperuniform point processes, and Bravais lattices. Hyperuniform media are characterized by an anomalous suppression of volume fraction fluctuations at large length scales compared to that of any nonhyperuniform medium. We further confirm that the small-, intermediate-, and long-time behaviors of S(t) sensitively capture the small-, intermediate-, and large-scale characteristics of the models. In instances in which the spectral density χ~V(k) has a power-law form B|k|α in the limit |k|→0, the long-time spreadability provides a simple means to extract the value of the coefficients α and B that is robust against noise in χ~V(k) at small wave numbers. For typical nonhyperuniform media, the intermediate-time spreadability is slower for models with larger values of the coefficient B=χ~V(0). Interestingly, the excess spreadability S(∞)−S(t) for URL packings has nearly exponential decay at small to intermediate t, but transforms to a power-law decay at large t, and the time for this transition has a logarithmic divergence in th

关键词： Complex systems Diffusion Flows in porous media Rocks Composite materials Glassy systems Porous materials Random & disordered media

来源：评论

学校读者我要写书评

暂无评论

Correlations in interacting electron liquids: Many-body statistics and hyperuniformity

arXiv

引用

arXiv 2024年

作者： Wang, Haina Samajdar, Rhine Torquato, Salvatore Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Physics Princeton University PrincetonNJ08544 United States Princeton Center for Theoretical Science Princeton University PrincetonNJ08544 United States Princeton Materials Institute Princeton University PrincetonNJ08540 United States Program in Applied and Computational Mathematics PrincetonNJ08544 United States

Disordered hyperuniform many-body systems are exotic states of matter with novel optical, transport, and mechanical properties. These systems are characterized by an anomalous suppression of large-scale density fluctuations compared to typical liquids, i.e., the structure factor obeys the scaling relation S(k) ∼ Bkα with B, α > 0 in the limit k → 0. Ground-state d-dimensional free fermionic gases, which are fundamental models for many metals and semiconductors, are key examples of quantum disordered hyperuniform states with important connections to random matrix theory. However, the effects of electron-electron interactions as well as the polarization of the electron liquid on hyperuniformity have not been explored thus far. In this work, we systematically address these questions by deriving the analytical small-k behaviors (and associatedly, α and B) of the total and spin-resolved structure factors of quasi-1D, 2D, and 3D electron liquids for varying polarizations and interaction parameters. We validate that these equilibrium disordered ground states are hyperuniform, as dictated by the fluctuation-compressibility relation. Interestingly, free fermions, partially polarized interacting fermions, and fully polarized interacting fermions are characterized by different values of the small-k scaling exponent α and coefficient B. In particular, partially polarized fermionic liquids exhibit a unique form of multihyperuniformity, in which the net configuration exhibits a stronger form of hyperuniformity (i.e., larger α) than each individual spin component. The detailed theoretical analysis of such small-k behaviors enables the construction of corresponding equilibrium classical systems under effective one- and two-body interactions that mimic the pair statistics of quantum electron liquids. Our work thus reveals that highly unusual hyperuniform and multihyperuniform states can be achieved in simple fermionic systems and paves the way for harnessing the unique hyperuniform

关键词： Density of liquids

来源：评论

学校读者我要写书评

暂无评论

Ordered and disordered stealthy hyperuniform point patterns across spatial dimensions

arXiv

引用

arXiv 2024年

作者： Morse, Peter K. Steinhardt, Paul J. Torquato, Salvatore Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Physics Princeton University PrincetonNJ08544 United States Princeton Institute of Materials Princeton University PrincetonNJ08544 United States Princeton Center for Theoretical Science Princeton University PrincetonNJ08544 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

In previous work [Phys. Rev. X 5, 021020 (2015)], it was shown that stealthy hyperuniform systems can be regarded as hard spheres in Fourier-space in the sense that the the structure factor is exactly zero in a spherical region around the origin in analogy with the pair-correlation function of real-space hard spheres. In this work, we exploit this correspondence to confirm that the densest Fourier-space hard-sphere system is that of a Bravais lattice. This is in contrast to real-space hard-spheres, whose densest configuration is conjectured to be disordered. We also extend the virial series previously suggested for disordered stealthy hyperuniform systems to higher dimensions in order to predict spatial decorrelation as function of dimension. This prediction is then borne out by numerical simulations of disordered stealthy hyperuniform ground states in dimensions d = 2-8. © 2024, CC BY.

关键词： Ground state

来源：评论

学校读者我要写书评

暂无评论

Generating large disordered stealthy hyperuniform systems with ultrahigh accuracy to determine their physical properties

引用

Physical Review Research 2023年第3期5卷 033190-033190页

作者： Peter K. Morse Jaeuk Kim Paul J. Steinhardt Salvatore Torquato Department of Chemistry Princeton University Princeton New Jersey 08544 USA Department of Physics Princeton University Princeton New Jersey 08544 USA Princeton Institute of Materials Princeton University Princeton New Jersey 08544 USA Princeton Center for Theoretical Science Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

Hyperuniform many-particle systems are characterized by a structure factor S(k) that is precisely zero as |k|→0; and stealthy hyperuniform systems have S(k)=0 for the finite range 0<|k|≤K, called the “exclusion region.” Through a process of collective-coordinate optimization, energy-minimizing disordered stealthy hyperuniform systems of moderate size have been made to high accuracy, and their novel physical properties have shown great promise. However, minimizing S(k) in the exclusion region is computationally intensive as the system size becomes large. In this paper, we present an improved methodology to generate such states using double-double precision calculations on graphical processing units (GPUs) that reduces the deviations from zero within the exclusion region by a factor of approximately 1030 for system sizes more than an order of magnitude larger. We further show that this ultrahigh accuracy is required to draw conclusions about their corresponding characteristics, such as the nature of the associated energy landscape and the presence or absence of Anderson localization, which might be masked, even when deviations are relatively small.

关键词： Exotic phases of matter

来源：评论

学校读者我要写书评

暂无评论

Modeling Neural Activity with Conditionally Linear Dynamical Systems

arXiv

引用

arXiv 2025年

作者： Geadah, Victor Nejatbakhsh, Amin Lipshutz, David Pillow, Jonathan W. Williams, Alex H. Program in Applied and Computational Mathematics Princeton University PrincetonNJ United States Center for Computational Neuroscience Flatiron Institute New York CityNY United States Department of Neuroscience Baylor College of Medicine HoustonTX United States Princeton Neuroscience Institute PrincetonNJ United States Center for Neural Science New York University New York CityNY United States

Neural population activity exhibits complex, nonlinear dynamics, varying in time, over trials, and across experimental conditions. Here, we develop Conditionally Linear Dynamical System (CLDS) models as a general-purpose method to characterize these dynamics. These models use Gaussian Process (GP) priors to capture the nonlinear dependence of circuit dynamics on task and behavioral variables. Conditioned on these covariates, the data is modeled with linear dynamics. This allows for transparent interpretation and tractable Bayesian inference. We find that CLDS models can perform well even in severely data-limited regimes (e.g. one trial per condition) due to their Bayesian formulation and ability to share statistical power across nearby task conditions. In example applications, we apply CLDS to model thalamic neurons that nonlinearly encode heading direction and to model motor cortical neurons during a cued reaching task. © 2025, CC BY.

关键词： Neurons

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：