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We present the advantages of a multiscale modelling strategy for the understanding of systems with charged interfaces. On the one hand, one can simulate a complex system at different levels, depending on the relevant length and time scales…

Chemical Physics · Physics 2018-11-26 Benjamin Rotenberg

A finite element simulation of the mechanical behaviour of woven textile materials at the scale of individual fibers is proposed in this paper. The aim of the simulation is to understand and identify phenomena involved at different scales…

Soft Condensed Matter · Physics 2008-12-18 Damien Durville

Soft particles at fluid interfaces play an important role in many aspects of our daily life, such as the food industry, paints and coatings, and medical applications. Analytical methods are not capable of describing the emergent effects of…

Computational Physics · Physics 2019-09-25 Maarten Wouters , Othmane Aouane , Timm Krueger , Jens Harting

Folding and aggregation of proteins, the interaction between proteins and membranes, as well as the adsorption of organic soft matter to inorganic solid substrates belong to the most interesting challenges in understanding structure and…

Soft Condensed Matter · Physics 2007-12-06 Michael Bachmann , Wolfhard Janke

Protein folding, peptide aggregation and crystallization, as well as adsorption of molecules on soft or solid substrates have an essential feature in common: In all these processes, structure formation is guided by a collective, cooperative…

Statistical Mechanics · Physics 2009-02-12 Michael Bachmann , Wolfhard Janke

The properties of excited nuclear matter and the quest for a phase transition which is expected to exist in this system are the subject of intensive investigations. High energy nuclear collisions between finite nuclei which lead to matter…

Nuclear Theory · Physics 2009-11-06 J. Richert , P. Wagner

CEA-Gramat studies the sensitivity of energetic materials to enhance their security and reliability. The conditions leading to the initiation of an explosive must be understood to control its sensitivity. According to the hot spots theory,…

Classical Physics · Physics 2020-12-02 Steve Belon , Benjamin Erzar , Élodie Kaeshammer , Lionel Borne

From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

While crack nucleation and propagation in the brittle or quasi-brittle regime can be predicted via variational or material-force-based phase field fracture models, these models often assume that the underlying elastic response of the…

Computational Engineering, Finance, and Science · Computer Science 2020-08-13 Hyoung Suk Suh , WaiChing Sun , Devin O'Connor

The heterogeneous multi-scale method (HMM) is a general strategy for dealing with problems involving multi-scales, with multi-physics, using multi-grids. It not only unifies several existing multi-scale methods, but also provide a…

Computational Physics · Physics 2007-05-23 Weinan E , Bjorn Engquist

An electro-chemo-mechanical phase-field formulation is developed to simulate pitting and stress corrosion in polycrystalline materials. The formulation incorporates dependencies of mechanical properties and corrosion potential on…

Computational Engineering, Finance, and Science · Computer Science 2024-04-01 M. Makuch , S. Kovacevic , M. R. Wenman , E. Martínez-Pañeda

Unlike the case with identical neighboring agents whose actions are mirrored, the problem of distributed formation control design with heterogeneous sensing is not straightforward. In this paper, we consider the problem of distributed…

Systems and Control · Electrical Eng. & Systems 2023-11-22 Jin Chen , Bayu Jayawardhana , Hector Garcia de Marina

Through three examples we illustrate some of the concepts and ingredients required for pattern formation at mesoscopic scales. Two examples build on microscopic models where mesoscopic patterns emerge from homogeneous ground states driven…

Pattern Formation and Solitons · Physics 2016-08-15 A. R. Bishop , K. Ø. Rasmussen , J. Röder , T. Lookman , A. Saxena , Andrea Vanossi , Panayotis Kevrekidis

We develop a theoretical and computational approach to deal with systems that involve a disparate range of spatio-temporal scales, such as those comprised of colloidal particles or polymers moving in a fluidic molecular environment. Our…

Soft Condensed Matter · Physics 2017-10-27 Adwait V. Datar , Maria Fyta , Umberto Marini Bettolo Marconi , Simone Melchionna

Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science.…

Chemical Physics · Physics 2025-09-08 Ilyes Batatia , Philipp Benner , Yuan Chiang , Alin M. Elena , Dávid P. Kovács , Janosh Riebesell , Xavier R. Advincula , Mark Asta , Matthew Avaylon , William J. Baldwin , Fabian Berger , Noam Bernstein , Arghya Bhowmik , Filippo Bigi , Samuel M. Blau , Vlad Cărare , Michele Ceriotti , Sanggyu Chong , James P. Darby , Sandip De , Flaviano Della Pia , Volker L. Deringer , Rokas Elijošius , Zakariya El-Machachi , Fabio Falcioni , Edvin Fako , Andrea C. Ferrari , John L. A. Gardner , Mikolaj J. Gawkowski , Annalena Genreith-Schriever , Janine George , Rhys E. A. Goodall , Jonas Grandel , Clare P. Grey , Petr Grigorev , Shuang Han , Will Handley , Hendrik H. Heenen , Kersti Hermansson , Christian Holm , Cheuk Hin Ho , Stephan Hofmann , Jad Jaafar , Konstantin S. Jakob , Hyunwook Jung , Venkat Kapil , Aaron D. Kaplan , Nima Karimitari , James R. Kermode , Panagiotis Kourtis , Namu Kroupa , Jolla Kullgren , Matthew C. Kuner , Domantas Kuryla , Guoda Liepuoniute , Chen Lin , Johannes T. Margraf , Ioan-Bogdan Magdău , Angelos Michaelides , J. Harry Moore , Aakash A. Naik , Samuel P. Niblett , Sam Walton Norwood , Niamh O'Neill , Christoph Ortner , Kristin A. Persson , Karsten Reuter , Andrew S. Rosen , Louise A. M. Rosset , Lars L. Schaaf , Christoph Schran , Benjamin X. Shi , Eric Sivonxay , Tamás K. Stenczel , Viktor Svahn , Christopher Sutton , Thomas D. Swinburne , Jules Tilly , Cas van der Oord , Santiago Vargas , Eszter Varga-Umbrich , Tejs Vegge , Martin Vondrák , Yangshuai Wang , William C. Witt , Thomas Wolf , Fabian Zills , Gábor Csányi

Despite decades of research, the modeling of moving contact lines has remained a formidable challenge in fluid dynamics whose resolution will impact numerous industrial, biological, and daily life applications. On the one hand, molecular…

Soft Condensed Matter · Physics 2018-11-09 E. R. Smith , P. E. Theodorakis , R. V. Craster , O. K. Matar

We provide a theoretical perspective on the glass transition in molecular liquids at thermal equilibrium, on the spatially heterogeneous and aging dynamics of disordered materials, and on the rheology of soft glassy materials. We start with…

Statistical Mechanics · Physics 2011-06-22 Ludovic Berthier , Giulio Biroli

Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast…

This work overviews a new, recent success of phase-field modelling: its application to predicting the evolution of the corrosion front and the associated structural integrity challenges. Despite its important implications for society,…

Chemical Physics · Physics 2024-06-24 E. Martínez-Pañeda

A mesoscopic multi-component lattice Boltzmann model with short-range repulsion between different species and short/mid-ranged attractive/repulsive interactions between like-molecules is introduced. The interplay between these composite…

Soft Condensed Matter · Physics 2010-09-14 Roberto Benzi , Sergio Chibbaro , Sauro Succi