Atomic‐scale design of anode materials for alkali metal (Li/Na/K)‐ion batteries: Progress and perspectives
The development and optimization of high‐performance anode materials for alkali metal ion
batteries is crucial for the green energy evolution. Atomic scale computational modeling …
batteries is crucial for the green energy evolution. Atomic scale computational modeling …
The synergistic action and interplay of hydrogen embrittlement mechanisms in steels and iron: Localized plasticity and decohesion
Component failures due to the hydrogen embrittlement (HE) were observed in different
industrial systems, including high-pressure hydrogen storage tanks, aircraft components …
industrial systems, including high-pressure hydrogen storage tanks, aircraft components …
Reproducibility in density functional theory calculations of solids
INTRODUCTION The reproducibility of results is one of the underlying principles of science.
An observation can only be accepted by the scientific community when it can be confirmed …
An observation can only be accepted by the scientific community when it can be confirmed …
Hydrogen embrittlement of industrial components: prediction, prevention, and models
Hydrogen embrittlement is a common, dangerous, and poorly understood cause of failure in
many metal alloys. In practice, it is observed that different types of damage to industrial …
many metal alloys. In practice, it is observed that different types of damage to industrial …
Combinatorial metallurgical synthesis and processing of high-entropy alloys
High-entropy alloys (HEAs) with multiple principal elements open up a practically infinite
space for designing novel materials. Probing this huge material universe requires the use of …
space for designing novel materials. Probing this huge material universe requires the use of …
Role of slip and twinning on strain hardening, and correlation with geometric hardening, latent hardening, and grain boundary strengthening in Titanium
DK Chouhan, S Mondal, B Bhattacharya… - International Journal of …, 2023 - Elsevier
This work investigates the role of slip & twinning on the strain hardening in Titanium (Ti) that
develops profound {10 1¯ 2}< 10 1¯ 1¯> extension twins (ET) during compression. The …
develops profound {10 1¯ 2}< 10 1¯ 1¯> extension twins (ET) during compression. The …
Strain hardening, twinning and texture evolution in magnesium alloy using the all twin variant polycrystal modelling approach
In this work, the viscoplastic self-consistent based All Twin Variant (ATV) polycrystal
modelling was employed to decipher the deformation behaviour of Mg–3Al-0.3 Mn …
modelling was employed to decipher the deformation behaviour of Mg–3Al-0.3 Mn …
Advancing density functional theory to finite temperatures: methods and applications in steel design
The performance of materials such as steels, their high strength and formability, is based on
an impressive variety of competing mechanisms on the microscopic/atomic scale (eg …
an impressive variety of competing mechanisms on the microscopic/atomic scale (eg …
Study of low-modulus biomedical β Ti–Nb–Zr alloys based on single-crystal elastic constants modeling
CALPHAD-type modeling was used to describe the single-crystal elastic constants of the bcc
solution phase in the ternary Ti–Nb–Zr system. The parameters in the model were evaluated …
solution phase in the ternary Ti–Nb–Zr system. The parameters in the model were evaluated …
Torsional vibration of single-walled carbon nanotubes using doublet mechanics
A Fatahi-Vajari, A Imam - Zeitschrift für angewandte Mathematik und …, 2016 - Springer
This paper investigates the torsional vibration of single-walled carbon nanotubes (SWCNTs)
using a new approach based on doublet mechanics (DM) incorporating explicitly scale …
using a new approach based on doublet mechanics (DM) incorporating explicitly scale …