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In the current density functional theory of linear and nonlinear time-dependent phenomena, the treatment of exchange and correlation beyond the level of the adiabatic local density approximation is shown to lead to the appearance of…

Condensed Matter · Physics 2009-10-30 G. Vignale , C. A. Ullrich , S. Conti

Elastic constants and mechanical properties play a pivotal role across multiple disciplines and engineering applications. We introduced the optimized high-efficient strain-matrix set (OHESS) that determines the second-order elastic…

Materials Science · Physics 2023-08-29 Zhong-Li Liu , Ya-Dong Wei , Xiao-Dong Xu , Wei-Qi Li , Gang Lv , Jian-Qun Yang , Xing-Ji Li , Chinedu E. Ekuma

Dynamic heterogeneity in glass-formers has been related to their static structure using the concept of dynamic propensity. We re-examine this relationship by analyzing dynamical fluctuations in two atomistic glass-formers and two…

Statistical Mechanics · Physics 2009-08-25 Ludovic Berthier , Robert L. Jack

Growing demands in the semiconductor industry necessitate increasingly stringent requirements on throughput and positioning accuracy of lithographic equipment. Meeting these demands involves employing highly aggressive motion profiles,…

Systems and Control · Electrical Eng. & Systems 2024-08-08 Yorick Broens , Hans Butler , Ramidin Kamidi , Koen Verkerk , Siep Weiland

Sessile hydrogel drops on rigid surfaces exhibit wetting/contact morphology intermediate between liquid drops and glass spheres. Using density functional theory, we reveal the contact forces acting between a hydrogel and a rigid glass…

Soft Condensed Matter · Physics 2023-08-30 Priyam Chakraborty , Surjyasish Mitra , A-Reum Kim , Boxin Zhao , Sushanta K. Mitra

Nanoscale molecular transport plays a crucial role in regulating mass diffusion and responsiveness in condensed matter systems. In soft porous crystals, in particular, adsorption of guest molecules induces host framework deformation and…

Soft Condensed Matter · Physics 2026-01-28 Kota Mitsumoto , Kyohei Takae

It is commonplace to encounter heterogeneous or nonstationary data, of which the underlying generating process changes across domains or over time. Such a distribution shift feature presents both challenges and opportunities for causal…

Machine Learning · Computer Science 2020-06-26 Biwei Huang , Kun Zhang , Jiji Zhang , Joseph Ramsey , Ruben Sanchez-Romero , Clark Glymour , Bernhard Schölkopf

We show that the codifference is a useful tool in studying the ergodicity breaking and non-Gaussianity properties of stochastic time series. While the codifference is a measure of dependence that was previously studied mainly in the context…

Statistical Mechanics · Physics 2019-07-25 Jakub Slezak , Ralf Metzler , Marcin Magdziarz

We prove existence and uniqueness for solutions to equilibrium problems for free-standing, traction-free, non homogeneous crystals in the presence of plastic slips. Moreover we prove that this class of problems is closed under G-convergence…

Analysis of PDEs · Mathematics 2020-07-16 Adriana Garroni , Annalisa Malusa

Two-dimensional covalent organic frameworks (2D COFs) are an interesting class of 2D materials since their reticular synthesis allows the tailored design of structures and functionalities. For many of their applications the mechanical…

Materials Science · Physics 2023-02-08 Alexander Croy , Antonios Raptakis , David Bodesheim , Arezoo Dianat , Gianaurelio Cuniberti

Deformations of conventional solids are described via elasticity, a classical field theory whose form is constrained by translational and rotational symmetries. However, flexible metamaterials often contain an additional approximate…

Soft Condensed Matter · Physics 2022-02-02 Michael Czajkowski , Corentin Coulais , Martin van Hecke , D. Zeb Rocklin

In this study, Bayesian inference is developed for structural vector autoregressive models in which the structural parameters are identified via Markov-switching heteroskedasticity. In such a model, restrictions that are just-identifying in…

Econometrics · Economics 2023-11-13 Helmut Lütkepohl , Tomasz Woźniak

Heterogeneity is a dominant factor in the behaviour of many biological processes. Despite this, it is common for mathematical and statistical analyses to ignore biological heterogeneity as a source of variability in experimental data.…

Dispersed colloidal particles within a suspension can aggregate and spontaneously self-organize into a robust, percolating structure known as a gel. These network-like structures are prevalent in nature and play a critical role in many…

Soft Condensed Matter · Physics 2025-04-29 David Richard , Mehdi Bouzid

Time-dependent density functional theory, proposed recently in the context of atomic diffusion and non-equilibrium processes in solids, is tested against Monte Carlo simulation. In order to assess the basic approximation of that theory, the…

Statistical Mechanics · Physics 2009-11-07 M. Kessler , W. Dieterich , H. L. Frisch , J. F. Gouyet , P. Maass

Consider an ergodic stationary random field $A$ on the ambient space $\mathbb R^d$. In order to establish concentration properties for nonlinear functions $Z(A)$, it is standard to appeal to functional inequalities like Poincar\'e or…

Probability · Mathematics 2019-10-11 Mitia Duerinckx , Antoine Gloria

Modern discrete manufacturing requires real-time energy and production co-scheduling to reduce business costs. In discrete manufacturing, production lines and equipment are complex and numerous, which introduces significant uncertainty…

Systems and Control · Electrical Eng. & Systems 2024-11-12 Yiyuan Pan , Zhaojian Wang

We develop an information-theoretic framework for discrete dynamics grounded in a comparison-cost functional on ratios. Given two quantities compared via their ratio \(x=a/b\), we assign a cost \(F(x)\) measuring deviation from equilibrium…

Information Theory · Computer Science 2026-01-21 Sebastian Pardo-Guerra , Megan Simons , Anil Thapa , Jonathan Washburn

This work presents a Finite Element Model Updating inverse methodology for reconstructing heterogeneous material distributions based on an efficient isogeometric shell formulation. It uses nonlinear hyperelastic material models suitable for…

Computational Engineering, Finance, and Science · Computer Science 2022-01-21 Bartosz Borzeszkowski , Izabela Lubowiecka , Roger A. Sauer

One of the most powerful strategies to address properties of real many-body systems is to incorporate data obtained for models, for example, to use data of the homogeneous electron gas in order to build the Local Density Approximation for…

Materials Science · Physics 2026-05-05 Muhammed Hüseyin Güneş , Ayoub Aouina , Vitaly Gorelov , Matteo Gatti , Lucia Reining