Recent advances in modelling structure-property correlations in high-entropy alloys

AA Deshmukh, R Ranganathan - Journal of Materials Science & …, 2024 - Elsevier
Since antiquity, humans have been involved in designing materials through alloying
strategies to meet the ever-growing technological demands. In 2004, this endeavor …

[HTML][HTML] Recent advances in utility of artificial intelligence towards multiscale colloidal based materials design

AA Moud - Colloid and Interface Science Communications, 2022 - Elsevier
Colloidal material design necessitates a collection of computer approaches ranging from
quantum chemistry to molecular dynamics and continuum modeling. Machine learning (ML) …

Atomistic insights into the deformation mechanism of a CoCrNi medium entropy alloy under nanoindentation

D Hua, Q **a, W Wang, Q Zhou, S Li, D Qian… - International Journal of …, 2021 - Elsevier
Understanding the fundamental of contact-induced behavior in metals is critical for the
studies of associated mechanical properties. Although nanocontact plasticity in the …

Computational analysis methods in atomistic modeling of crystals

A Stukowski - Jom, 2014 - Springer
This article discusses computational analysis methods typically used in atomistic modeling
of crystalline materials and highlights recent developments that can provide better insights …

In-situ observation of the initiation of plasticity by nucleation of prismatic dislocation loops

S Lee, A Vaid, J Im, B Kim, A Prakash… - Nature …, 2020 - nature.com
The elastic-to-plastic transition during the deformation of a dislocation-free nanoscale
volume is accompanied by displacement bursts associated with dislocation nucleation. The …

Evolution of dislocation substructures in metals via high-strain-rate nanoindentation

Y Zhang, BL Hackett, J Dong, KY **e… - Proceedings of the …, 2023 - pnas.org
Deformation at high strain rates often results in high stresses on many engineering
materials, potentially leading to catastrophic failure without proper design. High-strain-rate …

Interstitial effects on the incipient plasticity and dislocation behavior of a metastable high-entropy alloy: nanoindentation experiments and statistical modeling

K Gan, D Yan, S Zhu, Z Li - Acta Materialia, 2021 - Elsevier
Owing to the partial dislocation assisted twinning and/or displacive transformation upon
stress loading, metastable high-entropy alloys (HEAs) and their interstitial variants have …

Plastic deformation in nanoindentation of tantalum: A new mechanism for prismatic loop formation

TP Remington, CJ Ruestes, EM Bringa, BA Remington… - Acta Materialia, 2014 - Elsevier
The mechanisms of deformation under a nanoindentation in tantalum, chosen as a model
body-centered cubic (bcc) metal, are identified and quantified. Molecular dynamics (MD) …

Molecular dynamics simulations for nanoindentation response of nanotwinned FeNiCrCoCu high entropy alloy

Y Tian, Q Fang, J Li - Nanotechnology, 2020 - iopscience.iop.org
Twin boundary (TB) plays an important role on the plastic deformation of high entropy alloy
(HEA). The strong effects of TB on the deformation response of HEA are revealed from …