Related papers: Ab-initio tensile tests applied to BCC refractory …
Refractory high entropy alloys (R-HEAs) are having properties and uses as high strength and high hardness materials for ambient and high temperature, aerospace and nuclear radiation tolerance applications, orthopedic applications etc. The…
We propose a quantum-mechanical dimensionless metric, the local$-$lattice distortion (LLD), as a reliable predictor of ductility in refractory multi-principal-element alloys (RMPEAs). The LLD metric is based on electronegativity differences…
This study addresses the modelling of elastic bodies, particularly when the relaxed configuration is unknown or non-existent. We adopt the theory of initially stressed materials, incorporating the deformation gradient and stress state of…
The study of the high strain rate mechanical behaviour of materials using micropillar compression tests has been hindered so far due to the lack of suitable instrumentation. In the present study, a novel high strain rate micropillar…
Tungsten exhibits exceptional temperature and radiation resistance, making it well-suited for applications in extreme environments such as nuclear fusion reactors. Additive manufacturing offers geometrical design freedom and rapid…
Zinc alloys have emerged as promising candidates for biodegradable materials due to their remarkable biocompatibility and favorable mechanical characteristics. The incorporation of alloying elements plays an essential role in advancing the…
While the mechanical behavior of noble nanoporous metals has been the subject of numerous studies, less is known about their recently developed refractory-based counterparts. Here we report on the mechanical properties, deformation…
A method is presented to calculate from first principles the higher-order elastic constants of a solid material. The method relies on finite strain deformations, a density functional theory approach to calculate the Cauchy stress tensor,…
Ruthenium-based B2 intermetallics are promising for refractory superalloys but are limited by the trade-off between high thermodynamic stability and elastic precipitation strain. We present a physics-guided machine learning framework…
This study is focused on the mechanical characterization of materials used in microelectronic and micro- electromechanical systems (MEMS) devices. In order to determine their mechanical parameters, a new deformation bench test with suitable…
Density-functional theory forces, stresses and energies comprise a database from which the optimal parameters of a spline-based empirical potential combining Stillinger-Weber and modified embedded-atom forms are determined. Accuracy of the…
A recent and unexpected discrepancy between \textit{ab initio} simulations and the interpretation of a laser shock experiment on aluminum, probed by X-ray Thomson scattering (XRTS), is addressed. The ion-ion structure factor deduced from…
Bottom-up design of high-entropy ceramics is a promising approach for realizing materials with unique combination of high hardness and fracture-resistance at elevated temperature. This work offers a simple yet fundamental design criterion -…
High entropy alloys (HEA) represent a class of materials with promising properties, such as high strength and ductility, radiation damage tolerance, etc. At the same time, a combinatorially large variety of compositions and a complex…
High entropy materials, which include high entropy alloys, carbides, and borides, are a topic of substantial research interest due to the possibility of a large number of new material compositions that could fill gaps in application needs.…
When materials are deformed at extreme strain rates, greater than $10^6 \text{ s}^{-1}$, a counterintuitive mechanical response is seen where the strength and hardness of pure metals increases with increasing temperature. The anti-thermal…
In this study, novel exact solutions of the Duffing equation with their phase portraits have been proposed and reasoned. It is shown that phase trajectories are initially elliptical and become distorted in the unstable area within the…
A soft solid is said to be initially stressed if it is subjected to a state of internal stress in its unloaded reference configuration. Developing a sound mathematical framework to model initially stressed solids in nonlinear elasticity is…
Molybdenum disilicide (MoSi$_2$) is a very promising material for high temperature structural applications due to its high melting point (2030 {\deg}C), low density, high thermal conductivity and good oxidation resistance. However, MoSi$_2$…
The structural, electronic, mechanical and thermal properties of Ir$_{1-x}$Rh$_{x}$ alloys were studied systematically using ab initio density functional theory at different concentrations (x = 0.00, 0.25, 0.50, 0.75, 1.00). A Special…