Related papers: Fracture Strength of AlLiB14
This paper describes an attempt to construct a first-principles theory of the fracture toughness of crystalline solids. It is based on the thermodynamic dislocation theory (TDT), which starts with the assertion that dislocations in solids…
A novel carbon allotrope, hexagonal C12, is proposed from crystal chemistry and quantum density functional theory DFT calculations of ground state and physical properties. The structure exhibits corner sharing distorted tetrahedra with the…
Single-phase samples of Yb4LiGe4 and Yb5Ge4 were synthesized using high frequency (HF) heat treatment. Yb4LiGe4 crystallizes in orthorhombic space group Pnma with the Gd5Si4 type of crystal structure and lattice parameters a = 7.0571(1)…
We propose a simple and effective approach to construct the empirical tight-binding parameters of ternary alloys in the virtual crystal approximation. This combines a new, compact formulation of the strain parameters and a linear…
Very recently, two-dimensional(2D) boron sheets (borophene) with rectangular structure has been grown successfully on single crystal Ag(111) substrates.The fabricated boroprene is predicted to have unusual mechanical properties. We…
Theoretical analyses and experiments have been carried out to investigate fracture behavior of glassy polymers. Our birefringence measurements quantify the local stress buildup at cut tip during different stages of drawing. Based on…
In this paper, we investigate various properties of strong and weak twisted Bruhat orders on a Coxeter group. In particular, we prove that any twisted strong Bruhat order on an affine Weyl group is locally finite, strengthening a result of…
We have studied polycrystalline Yb4LiGe4, a ternary variant of the R5T4 family of layered compounds characterized by a very strong coupling between the magnetic and crystallographic degrees of freedom. The system is mixed valent, with…
The mimicry of crystalline microstructure at meso-scale creates a new class of architected materials, termed meta-crystals, and offers effective ways to significantly improve the toughness and eliminate the post-yield collapse of…
The widespread use of sodium aluminosilicate glass in many engineering applications due to its mechanical and optical properties (transparency, dielectric, etc.), has become common in recent years. However, glass, a brittle material, has…
We review the thin film growth, chemistry, and physical properties of Group 4-6 transition-metal diboride (TMB2) thin films with AlB2-type crystal structure (Strukturbericht designation C32). Industrial applications are growing rapidly as…
The roughness exponent is reported in numerical simulations with a three-dimensional elastic beam lattice. Two different types of disorder have been used to generate the breaking thresholds, i.e., distributions with a tail towards either…
Intermetallic compounds possess unique atomic arrangements that often lead to exceptional material properties, but their extreme brittleness usually causes fracture at a limited strain of less than 1% and prevents their practical use.…
We investigate the structure of the neutron rich nucleus $^{14}$B through studies of its breakup in the Coulomb field of a heavy target. The breakup amplitude is calculated within an adiabatic as well as finite range DWBA theories of…
Tight-binding molecular dynamics simulations shed light into the fracture mechanisms and the ideal strength of tetrahedral amorphous carbon and of nanocomposite carbon containing diamond crystallites, two of the hardest materials. It is…
Combining theory with experiments, we study the phase stability, elastic properties, electronic structure and hardness of layered ternary borides AlCr2B2, AlMn2B2, AlFe2B2, AlCo2B2, and AlNi2B2. We find that the first three borides of this…
Using first principles calculation, the structural and mechanical properties of BP$_3$N$_6$ which adopts an orthorhombic structure with space group Pna2$_1$ (no. 33), were determined at three different pressure values (0, 20 and 42.4~GPa).…
A natural mixture of heavy rare earths oxides extracted from xenotime mineral have been used to prepare large single crystals of high-temperature REBa2Cu3O(7-\delta) superconductor grown using the CuO-BaO self-flux method. Its mechanical…
Vacuum heat treatment of mechanically-alloyed powders of boron and aluminum leads to formation of a metastable Al-rich phase, which can be quenched. Its structure, composition, and thermal stability are established. With chemical formula…
Long-term durability is a major obstacle limiting the widespread use of lithium ion batteries (LIBs) in heavy-duty applications and others demanding extended lifetime. As one of the root causes of degradation and failure of battery…