Electronic-structure methods for materials design

N Marzari, A Ferretti, C Wolverton - Nature materials, 2021 - nature.com
The accuracy and efficiency of electronic-structure methods to understand, predict and
design the properties of materials has driven a new paradigm in research. Simulations can …

Modeling and simulation in tribology across scales: An overview

AI Vakis, VA Yastrebov, J Scheibert, L Nicola, D Dini… - Tribology …, 2018 - Elsevier
This review summarizes recent advances in the area of tribology based on the outcome of a
Lorentz Center workshop surveying various physical, chemical and mechanical phenomena …

New insights on cellular structures strengthening mechanisms and thermal stability of an austenitic stainless steel fabricated by laser powder-bed-fusion

T Voisin, JB Forien, A Perron, S Aubry, N Bertin… - Acta Materialia, 2021 - Elsevier
Rapid solidification cellular structures are known to play a crucial role in helping achieve
high strength and high ductility in 316L austenitic stainless steels fabricated by laser powder …

[HTML][HTML] Clustering, nano-scale precipitation and strengthening of steels

Z Xiong, I Timokhina, E Pereloma - Progress in Materials Science, 2021 - Elsevier
Continuous innovations in design of advanced structural steels are essential for future
progress in manufacturing, automotive and construction industries. Events taking place at …

Strain rate dependency of dislocation plasticity

H Fan, Q Wang, JA El-Awady, D Raabe… - Nature …, 2021 - nature.com
Dislocation glide is a general deformation mode, governing the strength of metals. Via
discrete dislocation dynamics and molecular dynamics simulations, we investigate the strain …

Grain-boundary kinetics: A unified approach

J Han, SL Thomas, DJ Srolovitz - Progress in Materials Science, 2018 - Elsevier
Grain boundaries (GBs) are central defects for describing polycrystalline materials, and
playing major role in a wide-range of physical properties of polycrystals. Control over GB …

Probing the limits of metal plasticity with molecular dynamics simulations

LA Zepeda-Ruiz, A Stukowski, T Oppelstrup… - Nature, 2017 - nature.com
Ordinarily, the strength and plasticity properties of a metal are defined by dislocations—line
defects in the crystal lattice whose motion results in material slippage along lattice planes …

Strength and plasticity of nanolaminated materials

J Wang, Q Zhou, S Shao, A Misra - Materials Research Letters, 2017 - Taylor & Francis
The mechanical behavior of nanolaminates is dominated by interfaces that act as sources,
barriers, and preferred sites for storage and dynamic recovery of glide dislocations. In this …

Unravelling the physics of size-dependent dislocation-mediated plasticity

JA El-Awady - Nature communications, 2015 - nature.com
Size-affected dislocation-mediated plasticity is important in a wide range of materials and
technologies. Here we develop a generalized size-dependent dislocation-based model that …

Slip planes in bcc transition metals

CR Weinberger, BL Boyce… - International materials …, 2013 - journals.sagepub.com
Slip in face centred cubic (fcc) metals is well documented to occur on {111} planes in< 110>
directions. In body centred cubic (bcc) metals, the slip direction is also well established to …