Microstructure Evolution of a VMnFeCoNi High‐Entropy Alloy After Synthesis, Swaging, and Annealing
Advanced Engineering Materials, EarlyView.The synthesis and processing (rotary swaging and annealing) of the novel VMnFeCoNi alloy is investigated, alongside the estimation of the grain size effect on hardness. Analysis of a wide grain size range of recrystallized microstructures (12–210 µm) reveals a low annealing twin density.
Aditya Srinivasan Tirunilai +6 more
wiley +1 more source
A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science
Advanced Engineering Materials, EarlyView.We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann +8 more
wiley +1 more source
Atomistic simulation of oxide materials with catalytic properties [PDF]
, 2009 When supported, thin films demonstrate remarkable structural transformations, with important implications for catalysis, sensors, electrochemistry, semiconductors or superconductors.
Măicăneanu, A.
core
Atomistic simulations of nanoindentation
Materials Today, 2006 Our understanding of mechanics is pushed to its limit when the functionality of devices is controlled at the nanometer scale. A fundamental understanding of nanomechanics is needed to design materials with optimum properties. Atomistic simulations can bring an important insight into nanostructure-property relations and, when combined with experiments ...
openaire +1 more source
Influence of Test Temperature and Test Frequency on Fatigue Life of Aluminum Alloy EN AW‐2618A
Advanced Engineering Materials, EarlyView.The influence of test temperature and test frequency on the fatigue life of EN AW‐2618A is investigated. High‐cycle fatigue tests are performed at different test temperatures and frequencies on the 1000 h/230°C overaged state. Both test parameters reduce fatigue life due to time‐dependent damage mechanisms.
Ying Han +5 more
wiley +1 more source
Simulation-Enhanced Atom Probe for Complete 3D Atomistic Imaging
, 2013 Simulation-Enhanced Atom Probe for Complete 3D Atomistic ...
B Gault (13610296) +8 more
core
Creep Properties and Deformation Mechanism of Additively Manufactured NiAl‐CrMo Composites
Advanced Engineering Materials, EarlyView.Additively manufactured NiAl‐CrMo composites contain numerous interfaces and cell boundaries that control their creep response. At 700°C under high applied stress, creep is dominated by dislocation‐controlled power‐law mechanisms. At 800°C–900°C and lower stresses, creep is primarily diffusion‐controlled along cell boundaries.
Jan Vollhüter +9 more
wiley +1 more source
PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation. [PDF]
J Chem Theory Comput, 2023 Dufils T, Knijff L, Shao Y, Zhang C.
europepmc +1 more source
Advanced Engineering Materials, EarlyView.The present study investigates recycling of NiTi shape memory alloys via vacuum induction melting. An ingot was synthesized from elemental Ni and Ti and subjected to three subsequent remelting cycles. Remelting increases process durations and impurity levels and adversely affects microstructures and functional properties.
Sakia Sophia Noorzayee +7 more
wiley +1 more source
Engulfment and Pushing of Cylindrical Liquid Nano-Inclusion by Advancing Crystal/Melt Interface: An Atomistic Simulation Study. [PDF]
Nanomaterials (Basel), 2023 Perveen A +4 more
europepmc +1 more source