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The Kohn-Sham equation is a powerful, widely used approach for computation of ground state electronic energies and densities in chemistry, materials science, biology, and nanosciences. In this paper, we study the adaptive finite element…

Numerical Analysis · Mathematics 2013-11-22 Huajie Chen , Xiaoying Dai , Xingao Gong , Lianhua He , Aihui Zhou

We use computer simulation to study the layer-by-layer growth of particle structures in a lattice gas, taking the number of incorporated vacancies as a measure of the quality of the grown structure. By exploiting a dynamic scaling relation…

Statistical Mechanics · Physics 2017-08-07 Stephen Whitelam

Based on original investigations into the stages of nucleation and growth of martensite, a consideration has been given to dynamic models of formation of martensite plates with a fine structure of transformation twins, which are compatible…

Materials Science · Physics 2010-07-02 M. P. Kashchenko , V. G. Chashchina

Branching processes pervade many models in statistical physics. We investigate the survival probability of a Galton-Watson branching process after a finite number of generations. We reveal the finite-size scaling law of the survival…

Statistical Mechanics · Physics 2015-11-26 Rosalba Garcia-Millan , Francesc Font-Clos , Alvaro Corral

We investigate the relation between energy minimizing maps valued into spheres having topological singularities at given points and optimal networks connecting them (e.g. Steiner trees, Gilbert-Steiner irrigation networks). We show the…

Optimization and Control · Mathematics 2023-02-28 Sisto Baldo , Van Phu Cuong Le , Annalisa Massaccesi , Giandomenico Orlandi

In a recent paper by Iglesias, Rumpf and Scherzer (Found. Comput. Math. 18(4), 2018) a variational model for deformations matching a pair of shapes given as level set functions was proposed. Its main feature is the presence of anisotropic…

Optimization and Control · Mathematics 2021-06-09 José A. Iglesias

This contribution presents a diffuse framework for modeling cracks in heterogeneous media. Interfaces are depicted by static phase-fields. This concept allows the use of non-conforming meshes. Another phase-field is used to describe the…

Materials Science · Physics 2020-05-11 Arne Claus Hansen-Dörr , Franz Dammaß , René de Borst , Markus Kästner

A variational formulation incorporating the full Navier-Stokes equations is used to identify initial perturbations with finite kinetic energy E_{0} which generate the largest gain in perturbation kinetic energy (across all possible time…

Fluid Dynamics · Physics 2011-11-30 S. M. E. Rabin , C. P. Caulfield , R. R. Kerswell

In this paper, we introduce a one-dimensional model of particles performing independent random walks, where only pairs of particles can produce offspring ("cooperative branching"), and particles that land on an occupied site merge with the…

Probability · Mathematics 2015-05-29 Anja Sturm , Jan M. Swart

We have developed a simple model for the study of a cubic to tetragonal martensitic transition, under athermal conditions, in systems with a certain amount of disorder. We have performed numerical simulations that allow for a statistical…

Statistical Mechanics · Physics 2015-05-13 B. Cerruti , E. Vives

Considerable efforts were made in recent years in devising optimization algorithms for influence maximization in networks. Here we ask: "When do we need optimization?" We use results from statistical mechanics and direct simulations on ER…

Social and Information Networks · Computer Science 2018-11-13 Yoav Kolumbus , Sorin Solomon

Stochastic programming can be applied to consider uncertainties in energy system optimization models for capacity expansion planning. However, these models become increasingly large and time-consuming to solve, even without considering…

Optimization and Control · Mathematics 2025-08-15 Shima Sasanpour , Manuel Wetzel , Karl-Kiên Cao , Hans Christian Gils , Andrés Ramos

We explore a roughening phase transition that occurs in the entanglement dynamics of certain quantum circuits. Viewing entanglement as the free energy of a membrane in a circuit-defined random environment, there is a competition between…

Quantum Physics · Physics 2025-12-23 Hyunsoo Ha , David A. Huse , Grace M. Sommers

Meta-materials are an important emerging class of engineered materials in which complex macroscopic behaviour--whether electromagnetic, thermal, or mechanical--arises from modular substructure. Simulation and optimization of these materials…

Machine Learning · Computer Science 2020-05-18 Alex Beatson , Jordan T. Ash , Geoffrey Roeder , Tianju Xue , Ryan P. Adams

The work continues the author's many-year research in theory of maximal branching processes, which are obtained from classical branching processes by replacing the summation of descendant numbers with taking the maximum. One can say that in…

Probability · Mathematics 2021-04-20 Alexey V. Lebedev

The feeder reconfiguration problem chooses the on/off status of the switches in a distribution network in order to minimize a certain cost such as power loss. It is a mixed integer nonlinear program and hence hard to solve. A popular…

Optimization and Control · Mathematics 2015-12-22 Qiuyu Peng , Steven H. Low

We propose here a geometric and topological setting for the study of branching effects arising in various fields of research, e.g. in statistical mechanics and turbulence theory. We describe various aspects that appear key points to us, and…

Differential Geometry · Mathematics 2018-07-16 Jean-Pierre Magnot

We develop computational methods for approximating the solution of a linear multi-term matrix equation in low rank. We follow an alternating minimization framework, where the solution is represented as a product of two matrices, and…

Numerical Analysis · Mathematics 2020-06-16 Kookjin Lee , Howard C. Elman , Catherine E. Powell , Dongeun Lee

We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…

Mesoscale and Nanoscale Physics · Physics 2026-04-22 Leonard Kreutz , Timo Ziereis

An original thermodynamically consistent large strains-based multiphase phase-field (PF) approach of Ginzburg-Landau type is developed for studying the grain boundary (GB)-induced martensitic transformations (MTs) in polycrystalline…

Materials Science · Physics 2022-06-24 Anup Basak