Publications associées à Mobility law of dislocations with several character angles and temperatures in FCC Aluminum

Publications associées (32)

Efficient and insightful descriptors for representing molecular and material space

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

Dislocation Hardening in a New Manufacturing Route of Ferritic Oxide Dispersion-Strengthened Fe-14Cr Cladding Tube

Roland Logé

The microstructure evolution associated with the cold forming sequence of an Fe-14Cr-1W-0.3Ti-0.3Y2O3 grade ferritic stainless steel strengthened by dispersion of nano oxides (ODS) was investigated. The material, initially hot extruded at 1100 degrees C an ...

MDPI2024

Instabilities in Elastic and Magneto-Elastic Beams and Shells: from Shell Buckling to the Design of a Programmable Braille Reader

Arefeh Abbasi

In this thesis, we conduct a comprehensive investigation into structural instabilities of both elastic and magneto-elastic beams and shells, resulting in a creative proposal to design a programmable braille reader. Methodologically, we combine numerical si ...

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

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

2023 Roadmap on molecular modelling of electrochemical energy materials

Alfredo Pasquarello, Chunmin Zhang, Assil Bouzid

New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as em ...

Iop Publishing Ltd2023

Nanomechanical Modeling of the Bending Response of Silicon Nanowires

Yusuf Leblebici, Zuhal Tasdemir

Understanding the mechanical behavior of silicon nanowiresis essentialfor the implementation of advanced nanoscale devices. Although bendingtests are predominantly used for this purpose, their findings shouldbe properly interpreted through modeling. Variou ...

AMER CHEMICAL SOC2023

The influence of lattice misfit on screw and edge dislocation-controlled solid solution strengthening in Mo-Ti alloys

William Curtin, Carolina Baruffi, You Rao

Mo-Ti alloys form solid solutions over a wide range of compositions, with lattice misfit parameters increasing significantly with titanium content. This indicates a strong increase in the critical stress for edge dislocation motion. Here, we probe the tran ...

SPRINGERNATURE2023

Strengthening mechanisms in dilute and random solid solution high-entropy BCC alloys

Alireza Ghafarollahi

Tuning the mechanical properties of metals, including strength, through adjusting the type and/or concentration of added solute elements, has been recognized as an effective way to design and produce materials with desired or optimized mechanical propertie ...

EPFL2022

Screw vs. edge dislocation strengthening in body-centered-cubic high entrophy alloys and implications for guided alloy design

William Curtin, Francesco Maresca, Carolina Baruffi

Body-centered-cubic (BCC) high entropy alloys (HEAs) can show exceptionally high strength up to high temperatures. Mechanistic theories are needed to guide alloy discovery within the immense multicomponent HEA compositional space. Here, two new theories fo ...

SPRINGER HEIDELBERG2022

Development of High-Strength Aluminum Alloys for Additive Manufacturing

Marvin Lennard Schuster

Metal additive manufacturing (AM) offers the possibility to rapidly produce complex geometries that are not achievable with conventional manufacturing methods. The two most common technologies, Laser Powder Bed Fusion (LPBF) and Direct Metal Deposition (DM ...

EPFL2022

Modeling of precipitate strengthening with near-chemical accuracy: case study of Al-6xxx alloys

William Curtin, Yi Hu

Many metal alloys are strengthened by controlling precipitation to achieve an optimal peak-aged condi-tion where the strength-limiting processes of precipitate shearing and Orowan looping are thought to be comparable. Qualitative models have long captured ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Machine learning for metallurgy IV: A neural network potential for Al-Cu-Mg and Al-Cu-Mg-Zn

William Curtin, Daniel John Gilles Marchand

Most metallurgical properties, e.g., dislocation propagation, precipitate formation, can only be fully understood atomistically but most phenomena and quantities of interest cannot be measured experimentally. Accurate simulation methods are essential but f ...

2022

Neural Network Potentials for Age Hardening Aluminum Alloys

Daniel John Gilles Marchand

High-strength metal alloys achieve their performance via careful control of precipitates and solutes. The nucleation, growth, and kinetics of precipitation, and the resulting mechanical properties, are inherently atomic scale phenomena, particularly during ...

EPFL2022

Beyond potentials: Integrated machine learning models for materials

Michele Ceriotti

Over the past decade, interatomic potentials based on machine learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure calculations, they inherit ...

SPRINGER HEIDELBERG2022

Probing Surfactant Bilayer Interactions by Tracking Optically Trapped Single Nanoparticles

Olivier Martin, Jeonghyeon Kim

Single-particle tracking and optical tweezers are powerful techniques for studying diverse processes at the microscopic scale. The stochastic behavior of a microscopic particle contains information about its interaction with surrounding molecules, and an o ...

WILEY2022

Understanding the mechanisms of adhesive wear for heterogeneous materials through atomistic simulations

Jean-François Molinari, Antonio Joaquin Garcia Suarez, Sacha Zenon Wattel

When two rough surfaces slide against each other, two main behaviors can be observed at the asperity level: A ductile behavior where the asperities tend to smooth out or a brittle behavior where the asperities detach and form debris. Recently, a critical l ...

2022

Nanoscale Growth Initiation as a Pathway to Improve the Earth-Abundant Absorber Zinc Phosphide

Anna Fontcuberta i Morral, Jean-Baptiste Leran, Simon Robert Escobar Steinvall, Mahdi Zamani, Rajrupa Paul, Mirjana Dimitrievska, Elias Zsolt Stutz

Growth approaches that limit the interface area between layers to nanoscale regions are emerging as a promising pathway to limit the interface defect formation due to mismatching lattice parameters or thermal expansion coefficient. Interfacial defect mitig ...

AMER CHEMICAL SOC2022

Deciphering the interactions between single arm dislocation sources and coherent twin boundary in nickel bi-crystal

Helena Van Swygenhoven

The introduction of a well-controlled population of coherent twin boundaries (CTBs) is an attractive route to improve the strength ductility product in face centered cubic (FCC) metals. However, the elementary mechanisms controlling the interaction between ...

Nature Research2021

On the structure of (111) twist grain boundaries in diamond: atomistic simulations with Tersoff-type interatomic potentials

Carolina Baruffi

In nanocrystalline diamond thin films, the high grain boundary density and the associated grain boundary properties may dominate the overall material behavior. In the present work, we systematically investigate (111) twist grain boundaries in diamond carbo ...

PERGAMON-ELSEVIER SCIENCE LTD2021