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

Related publications (32)

Achieving strength-ductility synergy in AISI 904L superaustenitic alloy through severe plastic deformation and post-deformation annealing

The evolution of microstructure and mechanical properties of AISI 904L stainless steel subjected to high-pressure torsion (HPT) and post-deformation annealing was investigated. A nanocrystalline microstructure with an average grain size of 48 nm was obtain ...

2025

Enhancing lifetime, forecasting, and economic benefits of photovoltaic technologies undergoing UV-induced degradation with optical filtering

Christophe Ballif, Antonin Faes, Christian Michael Wolff, Marion Solange Madeleine Dussouillez

Ultraviolet-induced degradation (UV-ID) of various PV cell types was analyzed under optical UV filters with different cutoff wavelengths. Cell types studied included interdigitated back contact (IBC), passivated emitter and rear totally diffused (PERT), an ...

2025

Fluid Chemistry Effect on Localized and Ductile Deformation of a Porous Sandstone

Marie Estelle Solange Violay, Gabriel Gérard Dominique Meyer, Francesco Lazari

In geological reservoirs, pore fluid chemistry can affect rock strength by inducing mineral dissolution, precipitation, and alteration, among other processes. Increasing pressure and temperature can shift deformation from localized to ductile, decreasing p ...

2025

Vacancy segregation and intrinsic coordination defects at (111) twist grain boundaries in diamond

Carolina Baruffi

High radiation damage resistance has become increasingly important for applications of functional materials in harsh environments. The high radiation damage resistance diamond cubic carbon is a unique material which is considered for radiation environments ...

Pergamon-Elsevier Science Ltd2023

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

Tensile and creep-rupture response of additively manufactured nickel-based superalloy CM247LC

Christian Leinenbach

Tensile and creep rupture properties of crack-free CM247LC alloy, processed via laser powder bed fusion, have been characterised in this work at temperatures up to 1000 & DEG;C. The subject alloy matches or even exceeds the tensile performance of its direc ...

ELSEVIER2023

Simple shear extrusion versus equal channel angular pressing: A comparative study on the microstructure and mechanical properties of an Mg alloy

Roland Logé, Cyril Cayron, Aryan Rezaei Rad

Two severe plastic deformation (SPD) techniques of simple shear extrusion (SSE) and equal channel angular pressing (ECAP) were employed to process an extruded Mg -6Gd -3Y -1.5Ag (wt%) alloy at 553 K for 1, 2, 4 and 6 passes. The microstructural evolutions ...

KEAI PUBLISHING LTD2023

Simultaneous strength and ductility enhancement of wire-arc directed energy deposited Al-Cu alloy by interlayer laser shock peening

Ke Huang, Yandong Jing

Wire-arc directed energy deposition (wire-arc DED), recognized for its ability to produce large-scale parts, has gained considerable attention. However, a critical issue with this method is the high prevalence of internal porosity defects found in the manu ...

Elsevier Science Sa2023

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

Rapid grain boundary diffusion in foraminifera tests biases paleotemperature records

Anders Meibom, Jaroslaw Hubert Stolarski, Lukas Baumgartner, Arthur Adams, Deyanira Graciela Cisneros Lazaro, Jinming Guo

The paleoseawater temperature record from the oxygen isotope compositions of fossil foraminifera tests may be biased by up to about 1 degrees C due to grain-boundary diffusion alone, according to isotope exchange experiments on foraminifera tests. The oxyg ...

2023

Synthesis of High-Surface-Area Alumina using Carbon Templating and Liquid Phase Atomic Layer Deposition

Jeremy Luterbacher, Farzaneh Talebkeikhah, Yu-Cheng Lin

Certain metal oxides exhibit unique phases and associated properties that can generally only be accessed via high temperature treatments. However, high temperature processes usually lead to surface reconstruction and pore collapse, which reduces the active ...

2024

Atomic scale volume and grain boundary diffusion elucidated by in situ STEM

Johann Michler, Xavier Maeder, Laszlo Pethö

Diffusion is one of the most important phenomena studied in science ranging from physics to biology and, in abstract form, even in social sciences. In the field of materials science, diffusion in crystalline solids is of particular interest as it plays a p ...

Nature Portfolio2023

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

Microscopic Digital Image Correlation Analysis of Strain Distributions in Stainless Steel 316L Induced by Multiaxial Cyclic Loading

Elif Cansu Kursun

Fatigue damage in materials results in localized strain at the microstructural level. In many engineering components of the cooling circuits of nuclear power plants, where austenitic steels are used, the material experiences multiaxial cyclic loading, eith ...

EPFL2023

Ferroelectric device or structure and a method for producing ferroelectric devices or structures

Tobias Kippenberg, Rui Ning Wang, Zelin Tan

The present invention concerns a method for producing at least one ferroelectric device or structure comprising the steps of providing at least one ferroelectric material or layer, or providing at least one ferroelectric material or layer to be patterned o ...

2023

Spinel Protective Coatings for Solid Oxide Cell (SOC) Interconnects (ICs)

Samaneh Daviran

Abstract The degradation of metal interconnects (ICs) in Solid Oxide Cells (SOCs) primarily results from chromium (Cr) oxide scale growth on stainless-steel substrates, causing ohmic loss and air-side electrode poisoning by Cr. This thesis addresses these ...

EPFL2024

Decoupling Interlayer Spacing and Cation Dipole on Exciton Binding Energy in Layered Halide Perovskites

Rosario Scopelliti, Nicolas Grandjean, Kevin Sivula, Jun Ho Yum, Yeonju Kim, Simon Nussbaum, Han-Hee Cho, Danxuan Chen

Layered halide perovskites (LHPs) are emerging semiconductor materials due to their superior environmental stability compared to that of traditional halide perovskites. While LHPs have tunable optoelectronic properties, quantum and dielectric confinement e ...

2024

Towards Scalable Electronics: Synthetic 2D Materials for Large-Area 2D Circuit Integration

Zhenyu Wang

In the past decades, a significant increase of the transistor density on a chip has led to exponential growth in computational power driven by Moore's law. To overcome the bottleneck of traditional von-Neumann architecture in computational efficiency, effo ...

EPFL2024

Microstructure et usinabilité d'alliages de titane béta-métastable

Loïc Favre

Titanium has become in recent years an interesting material in many applications that require a combination of high mechanical properties and low density. It has the peculiarity of undergoing an allotropic transformation at 882°C. Below this temperature, ...

EPFL2023