Insight into structural, electronic, elastic and thermal properties of A15-type Nb3X (X = Si, Ge, Sn and Pb) compounds

The influence of vacancy defects on elastic and electronic properties of TaSi (5/3) desilicides from a first-principles calculations

(2020) Jiaying Chen et al.   CERAMICS INTERNATIONAL

The mechanism of elastic and electronic properties of Tungsten Silicide (5/3) with vacancy defect from the first-principles calculations

(2020) Dongzhi Li et al.   VACUUM

Influence of Mo concentration on the structure, mechanical and thermodynamic properties of Mo–Al compounds from first-principles calculations

(2020) Yong Pan et al.   VACUUM

Influence of transition metal on the mechanical and thermodynamic properties of IrAl thermal barrier coating

(2020) Yong Pan et al.   VACUUM

Insight into the vacancy effects on mechanical and electronic properties of V5Si3 silicides from first-principles calculations

(2020) Xudong Zhang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Insight into the elastic and anisotropic properties of BiMg2MO6 (M= P, As and V) ceramics from the first-principles calculations

(2019) Xudong Zhang et al.   CERAMICS INTERNATIONAL

The structure, mechanical and electronic properties of WSi2 from first-principles investigations

(2019) Y. Pan et al.   VACUUM

Insight into the vacancy effects on mechanical and electronic properties of Tantalum Silicide

(2019) Jiaying Chen et al.   CERAMICS INTERNATIONAL

Insight into the pressure effect on the structural stability and physical properties of cubic sesquioxides X2O3 (X= Sc, Y and In)

(2019) Dongzhi Li et al.   VACUUM

Evolution of the Structural, Mechanical, and Phonon Properties of GeSe Polymorphs in a Pressure-Induced Second-Order Phase Transition

(2019) Jianhui Yang et al.   Materials

Elastic anisotropy and thermodynamics properties of BiCu2PO6, BiZn2PO6 and BiPb2PO6 ceramics materials from first-principles calculations

(2019) Jing Chen et al.   CERAMICS INTERNATIONAL

A first principles investigation on the influence of transition-metal elements on the structural, mechanical, and anisotropic properties of CaM2Al20 intermetallics

(2019) Xudong Zhang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

First-principles prediction of the physical properties of ThM2Al20 (M= Ti, V, Cr) intermetallics

(2018) Xudong Zhang et al.   SOLID STATE COMMUNICATIONS

Phase stability, elastic, anisotropic and thermodynamic properties of GdT2Al20 (T = Ti, V, Cr) compounds: A first-principles study

(2018) Xudong Zhang et al.   VACUUM

An intrinsic model for strain tensor effects on the density of states in A15 Nb3Sn

(2018) Li Qiao et al.   CRYOGENICS

Ground-state crystal structures of superconducting Nb3Al and the phase transformation under high pressures

(2018) Jianjun Mao et al.   JOURNAL OF APPLIED PHYSICS

First-principles calculations of phase transition, elasticity, phonon spectra, and thermodynamic properties for hafnium

(2018) Cheng-Bin Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

Insight into the influence of alloying elements on mechanical and thermodynamic properties of Nb3Si: A first-principles calculations

(2017) Yong Pan et al.   JOURNAL OF MATERIALS RESEARCH

Anisotropy in elasticity, sound velocities and minimum thermal conductivity of zirconia from first-principles calculations

(2017) Jun Yang et al.   JOURNAL OF THE EUROPEAN CERAMIC SOCIETY

Pinning Improvement of A15 Applied Superconducting Materials

(2016) B.A. Glowacki   ACTA PHYSICA POLONICA A

Ab initio investigation of the intermetallics in the Nb–Sn binary system

(2015) I. Papadimitriou et al.   ACTA MATERIALIA

Estimate of density-of-states changes with strain in A15 Nb 3 Sn superconductors

(2015) Li Qiao et al.   CRYOGENICS

Phase stability, structural and elastic properties of C15-type Laves transition-metal compounds MCo2 from first-principles calculations

(2015) Shuai Chen et al.   JOURNAL OF ALLOYS AND COMPOUNDS

On the Nb-Ge Binary System

(2015) Ioannis Papadimitriou et al.   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Superconductivity in the A15 structure

(2015) G.R. Stewart   PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS

Vibrational spectra (experimental and theoretical), molecular structure, natural bond orbital, HOMO–LUMO energy, Mulliken charge and thermodynamic analysis of N′-hydroxy-pyrimidine-2-carboximidamide by DFT approach

(2015) N. Jeeva Jasmine et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

First-principles study on elastic and superconducting properties of Nb3Sn and Nb3Al under hydrostatic pressure

(2015) Rui Zhang et al.   AIP Advances

Charting the complete elastic properties of inorganic crystalline compounds

(2015) Maarten de Jong et al.   Scientific Data

Sharp electronic structure and anomalous isotope effect in Zr, Nb3Sn, and YBa2Cu3O7

(2014) Guang-Lin Zhao   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Molecular structure, Mulliken charge, frontier molecular orbital and first hyperpolarizability analysis on 2-nitroaniline and 4-methoxy-2-nitroaniline using density functional theory

(2014) S. Azhagiri et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Strain sensitivity and superconducting properties of Nb3Sn from first principles calculations

(2013) G De Marzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Thermodynamical and phonon properties of rare-earth REBi (RE=Ce and La) bismuthidies

(2012) Venu H. Mankad et al.   COMPUTATIONAL MATERIALS SCIENCE

Microscopic theory of hardness and design of novel superhard crystals

(2012) Yongjun Tian et al.   INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS

Thermal expansions in wurtzite AlN, GaN, and InN: First-principle phonon calculations

(2011) Li-Chun Xu et al.   JOURNAL OF APPLIED PHYSICS

Representation of A15 composition and T C in internal-Sn Nb3Sn superconducting strands

(2010) ChaoWu Zhang et al.   Science China-Technological Sciences

Elastic and thermodynamical properties of A15 Nb3X (X =  Al, Ga, In, Sn and Sb) compounds — First principles DFT study

(2010) M. Sundareswari et al.   SOLID STATE COMMUNICATIONS

Nb3Sn material development in Russia

(2008) V. Pantsyrny et al.   CRYOGENICS

Universal Elastic Anisotropy Index

(2008) Shivakumar I. Ranganathan et al.   PHYSICAL REVIEW LETTERS