Materials discovery at high pressures
Pressure is a fundamental thermodynamic variable that can be used to control the properties
of materials, because it reduces interatomic distances and profoundly modifies electronic …
of materials, because it reduces interatomic distances and profoundly modifies electronic …
Microscopic theory of hardness and design of novel superhard crystals
Hardness can be defined microscopically as the combined resistance of chemical bonds in
a material to indentation. The current review presents three most popular microscopic …
a material to indentation. The current review presents three most popular microscopic …
An ab-initio study on structural, elastic, electronic, bonding, thermal, and optical properties of topological Weyl semimetal TaX (X = P, As)
In recent days, study of topological Weyl semimetals have become an active branch of
physics and materials science because they led to realization of the Weyl fermions and …
physics and materials science because they led to realization of the Weyl fermions and …
Nanotwinned diamond with unprecedented hardness and stability
Although diamond is the hardest material for cutting tools, poor thermal stability has limited
its applications, especially at high temperatures. Simultaneous improvement of the hardness …
its applications, especially at high temperatures. Simultaneous improvement of the hardness …
A model of hardness and fracture toughness of solids
Hardness and fracture toughness are some of the most important mechanical properties.
Here, we propose a simple model that uses only the elastic properties to calculate the …
Here, we propose a simple model that uses only the elastic properties to calculate the …
Modeling hardness of polycrystalline materials and bulk metallic glasses
Though extensively studied, hardness, defined as the resistance of a material to
deformation, still remains a challenging issue for a formal theoretical description due to its …
deformation, still remains a challenging issue for a formal theoretical description due to its …
Ultrahard nanotwinned cubic boron nitride
Cubic boron nitride (cBN) is a well known superhard material that has a wide range of
industrial applications. Nanostructuring of cBN is an effective way to improve its hardness by …
industrial applications. Nanostructuring of cBN is an effective way to improve its hardness by …
Room‐Temperature Wide‐Gap Inorganic Materials with Excellent Plasticity
In general, inorganic non‐metallic materials exhibit brittleness, and achieving plasticity in
wide‐gap semiconductors or dielectrics poses an even greater challenge. Historically, silver …
wide‐gap semiconductors or dielectrics poses an even greater challenge. Historically, silver …
T-carbon: a novel carbon allotrope
A structurally stable crystalline carbon allotrope is predicted by means of the first-principles
calculations. This allotrope can be derived by substituting each atom in diamond with a …
calculations. This allotrope can be derived by substituting each atom in diamond with a …
Simple and accurate model of fracture toughness of solids
Fracture toughness KIC plays an important role in materials design. Along with numerous
experimental methods to measure the fracture toughness of materials, its understanding and …
experimental methods to measure the fracture toughness of materials, its understanding and …