Publications related to Magnesium interatomic potential for simulating plasticity and fracture phenomena

Related publications (29)

Short-term behavior of glass fiber-polymer composite bending-active elastica beam under service load application

Thomas Keller, Landolf-Giosef-Anastasios Rhode-Barbarigos, Tara Habibi

Bending-active elastica beam is a structural configuration that is based on the elastic deformation of an initially straight beam. This deformation occurs when horizontal displacements are applied to a sliding support, causing the beam to bend into an arch ...

2024

Modeling friction and wear using an adaptive discrete-continuum coupling

Manon Eugénie Voisin--Leprince

When two objects slide against each other, wear and friction occur at their interface. The accumulation of wear forms what is commonly referred to as a ``third-body''. Understanding third-body evolution has significant applications in industry, where contr ...

EPFL2024

Insights from an extensive triaxial testing campaign on a shale for comparative site characterization of a deep geological repository

Lyesse Laloui, Alessio Ferrari, Eleonora Crisci

Several boreholes were drilled for site comparison of a deep geological repository (DGR) in Northern Switzerland. The main target of the exploration program was the >100m thick Opalinus Clay, the designated host rock encountered at approximately 450 to 100 ...

Elsevier2024

Computational Homogenization for Inverse Design of Surface-based Inflatables

Mark Pauly, Florin Isvoranu, Francis Julian Panetta, Yingying Ren, Seiichi Eduardo Suzuki Erazo, Uday Kusupati

Surface-based inflatables are composed of two thin layers of nearly inextensible sheet material joined together along carefully selected fusing curves. During inflation, pressure forces separate the two sheets to maximize the enclosed volume. The fusing c ...

Association for Computing Machinery (ACM)2024

A diversity-driven discovery of potential nanoporous materials for energy-related applications

Sauradeep Majumdar

The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...

EPFL2024

Surface segregation in high-entropy alloys from alchemical machine learning

Michele Ceriotti, Sandip De, Guillaume André Jean Fraux, Arslan Mazitov, Nataliya Lopanitsyna

High-entropy alloys (HEAs), containing several metallic elements in near-equimolar proportions, have long been of interest for their unique mechanical properties. More recently, they have emerged as a promising platform for the development of novel heterog ...

Iop Publishing Ltd2024

Dataset for "Complexity of crack front geometry enhances toughness of brittle solids"

John Martin Kolinski, Chenzhuo Li, Xinyue Wei

This data package supports the publication 'Complexity of crack front geometry enhances toughness of brittle solids' by Xinyue Wei, Chenzhuo Li, Cían McCarthy, and John M. Kolinski Nature physics (2024) - https://doi.org/10.1038/s41567-024-02435-x DOI: 1 ...

Zenodo2024

Two-dimensional quasi-static delamination in composite laminates under Mode-I and Mode-II conditions

Congzhe Wang

Fiber-polymer composites consist of a polymer matrix and reinforcing fibers made of various materials. These composites exhibit exceptional properties, such as a high strength-to-weight ratio and excellent corrosion resistance, which has led to their incre ...

EPFL2024

A cut-cell method for the numerical simulation of 3D multiphase flows with strong interfacial effects

Marco Picasso, Alexandre Caboussat, Alexandre Masserey, Julien Hess

We present a numerical model for the approximation of multiphase flows with free surfaces and strong interfacial effects. The model relies on the multiphase incompressible Navier-Stokes equations, and includes surface tension effects on the interfaces betw ...

Academic Press Inc Elsevier Science2024

Influence of model uncertainty and long term deformations in action effects calculation in reinforced concrete structures

Xhemsi Malja

Most codes of practice adopt a semi probabilistic design approach for the dimensioning and assessment of structures. Accordingly, structural safety is ensured by performing limit state verifications using design values determined with adequately calibrated ...

EPFL2024

Influence of fiber orientation on the tensile behavior of UHPFRC and reinforced UHPFRC under static and fatigue loadings

Jian Zhan

Ultra-high performance fiber reinforced cementitious composite (UHPFRC) is a modern class of cementitious building materials. Because of its superior mechanical properties and durability, it is increasingly used globally to rehabilitate, strengthen and mod ...

EPFL2024

Solute-strengthening in metal alloys with short-range order

William Curtin, Shankha Nag

Recent surging interest in strengthening of High Entropy Alloys (HEAs) with possible chemical ordering motivates the development of new theory. Here, an existing theory for random alloys that accounts for solute-dislocation and solute–solute interactions i ...

2024

Garment Recovery with Shape and Deformation Priors

Pascal Fua, Benoît Alain René Guillard, Ren Li, Corentin Camille Marius Dumery

While modeling people wearing tight-fitting clothing has made great strides in recent years, loose-fitting clothing remains a challenge. We propose a method that delivers realistic garment models from real-world images, regardless of garment shape or defor ...

2024

Experimental and ab initio derivation of interface stress in nanomultilayered coatings: Application to immiscible Cu/W system with variable in-plane stress

Claudia Cancellieri, Pandula Manura Liyanage

Interface stress is a fundamental descriptor for interphase boundaries and is defined in strict relation to the interface energy. In nanomultilayers with their intrinsically high interface density, the functional properties are dictated by the interface st ...

Elsevier2024

Seebeck Coefficient of Ionic Conductors from Bayesian Regression Analysis

Paolo Pegolo

We propose a novel approach to evaluating the ionic Seebeck coefficient in electrolytes from relatively short equilibrium molecular dynamics simulations, based on the Green-Kubo theory of linear response and Bayesian regression analysis. By exploiting the ...

Amer Chemical Soc2024

Efficient and insightful descriptors for representing molecular and material space

Alexander Jan Goscinski

Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...

EPFL2024

Shear and steel-fibre reinforcement for the punching resistance of flat slabs at internal and edge columns

Diego Hernández Fraile

Reinforced concrete flat slabs consist of a continuous, thin concrete plate that rests on a grid of columns. The supporting surface of the columns is very small compared to the floor plan dimensions, leading to concentrations of shear forces near the colum ...

EPFL2024

Lattice Green's function method for Atomistic/Continuum coupling

Ankit Gupta

Metal plasticity is an inherently multiscale phenomenon due to the complex long-range field of atomistic dislocations that are the primary mechanism for plastic deformation in metals. Atomistic/Continuum (A/C) coupling methods are computationally efficient ...

EPFL2023

Deformation response of highly stretchable and ductile graphene kirigami under uniaxial and biaxial tension

Ye Wei, Yao Chen

Kirigami, the ancient technique of paper cutting, has been successfully applied to enhance the stretchability and ductility of nanoscale graphene. However, existing experimentally realized graphene kirigami (GK) are created by introducing parallel cuts, ex ...

Amer Physical Soc2023

A low-temperature prismatic slip instability in Mg understood using machine learning potentials

William Curtin, Xin Liu, Binglun Yin

Prismatic slip in magnesium at temperatures T

PERGAMON-ELSEVIER SCIENCE LTD2023