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In this paper, we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular dynamics. The latter are ubiquitous in physicochemical and biological…

The approach of nonequilibrium evolution thermodynamics earlier offered is developed. It helps to describe the processes of defect formation within the adiabatic approximation. The basic equations system depends on the initial defects…

材料科学 · 物理学 2015-10-23 A. V. Khomenko , D. S. Troshchenko , L. S. Metlov

In order to investigate the evolutionary process of many deterministic Dynamical systems with unfixed parameter, a set of dynamical models with parameter changing continuously and the accumulation of this change might be large is introduced…

comp-gas · 物理学 2008-02-03 H. P. Fang

This paper presents a hybrid continuum discrete macro modelling strategy with a multiscale calibration procedure for realistic simulations of brick masonry bridges. The response of these structures is affected by the intrinsic nonlinearity…

计算工程、金融与科学 · 计算机科学 2022-02-15 Bartolomeo Panto' , Corrado Chisari , Lorenzo Macorini , Bassam A. Izzuddin

The internal energy associated with the defect microstructure of strongly deformed crystals provides an important driving force for grain boundary motion during recrystallization. Typical dislocation microstructures are strongly…

材料科学 · 物理学 2026-01-13 Yufan Zhang , Michael Zaiser

Unknown nonlinear dynamics can limit the performance of model-based feedforward control. The aim of this paper is to develop a feedforward control framework for systems with unknown, typically nonlinear, dynamics. To address the unknown…

系统与控制 · 电气工程与系统科学 2023-03-31 Johan Kon , Dennis Bruijnen , Jeroen van de Wijdeven , Marcel Heertjes , Tom Oomen

A new phase field dislocation dynamics formulation is presented, which couples micromechanical solvers and the time-dependent Ginzburg-Landau equation. Grain boundary (GB)-dislocation interactions are studied by describing GBs as…

材料科学 · 物理学 2026-02-20 Brayan Murgas , Avanish Mishra , Nithin Mathew , Abigail Hunter

In this paper, we investigate a system of parabolic partial differential equations with unknown-dependent coefficients that integrates two models: an anisotropic orientation-adaptive denoising process in image processing and a phase-field…

偏微分方程分析 · 数学 2026-05-05 Naotaka Ukai

In this paper, we propose a variational formulation to study the singular evolution equations that govern the dynamics of surface modulations on crystals below the roughening temperature. The basic idea of the formulation is to expand the…

材料科学 · 物理学 2009-11-07 V. B. Shenoy , A. Ramasubramaniam , L. B. Freund

In this paper, we present a stabilized mixed formulation for unsteady Brinkman equation. The formulation is systematically derived based on the variational multiscale formalism and the method of horizontal lines. The derivation does not…

数值分析 · 计算机科学 2010-12-01 S. Srinivasan , K. B. Nakshatrala

Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…

材料科学 · 物理学 2007-05-23 V. B. Shenoy , R. Miller , E. B. Tadmor , D. Rodney , R. Phillips , M. Ortiz

To control how a robot moves, motion planning algorithms must compute paths in high-dimensional state spaces while accounting for physical constraints related to motors and joints, generating smooth and stable motions, avoiding obstacles,…

Mixed optimal stopping and stochastic control problems define variational inequalities with non-linear Hamilton-Jacobi-Bellman (HJB) operators, whose numerical solution is notoriously difficult and lack of reliable benchmarks. We first use…

最优化与控制 · 数学 2025-05-27 Yun Zhao , Harry Zheng

Grain boundary plane distributions are widely used to infer the mechanisms governing grain boundary formation in polycrystalline materials. We show that such interpretations are inherently ambiguous. Using a unified eight-parameter boundary…

材料科学 · 物理学 2026-04-21 Ralf Hielscher , Rüdiger Kilian , Erik Wünsche , Katharina Tinka Marquardt

A simple variogram model with two parameters is presented that includes the power variogram for the fractional Brownian motion, a modified De Wijsian model, the generalized Cauchy model and the multiquadrics model. One parameter controls…

统计方法学 · 统计学 2014-12-08 Martin Schlather

It is frequent for active or living entities to find themselves embedded in a surrounding medium. Resulting composite systems are usually classified as either active fluids or active solids. Yet, in reality, particularly in the biological…

软凝聚态物质 · 物理学 2025-11-07 Henning Reinken , Andreas M. Menzel

Disordered proteins play essential roles in myriad cellular processes, yet their structural characterization remains a major challenge due to their dynamic and heterogeneous nature. We here present a community-driven initiative to address…

We propose a framework employing stochastic differential equations to facilitate the long-term stability analysis of power grids with intermittent wind power generations. This framework takes into account the discrete dynamics which play a…

系统与控制 · 计算机科学 2017-03-10 Xiaozhe Wang , Tao Wang , Hsiao-Dong Chiang , Jianhui Wang , Hui Liu

Undirected graphical models are applied in genomics, protein structure prediction, and neuroscience to identify sparse interactions that underlie discrete data. Although Bayesian methods for inference would be favorable in these contexts,…

机器学习 · 统计学 2017-06-15 John Ingraham , Debora Marks

We propose a Stein variational distributionally robust controller for nonlinear dynamical systems with latent parametric uncertainty. The method is an alternative to conservative worst-case ambiguity-set optimization with a deterministic…

机器人学 · 计算机科学 2026-04-16 Hrishikesh Sathyanarayan , Ian Abraham