Ab initio calculations of elastic constants and thermodynamic properties of NiAl under high pressures

Hongzhi Fu, Dehua Li, Feng Peng, +2

Computational Materials Science

Materials ScienceThermodynamic ModellingElastic ConstantsEngineeringMaterial Simulation +6

Stable Calcium Nitrides at Ambient and High Pressures

Shuangshuang Zhu, Feng Peng, Hanyu Liu, +3

Inorganic Chemistry

Materials ScienceInorganic ChemistryChemical EngineeringChemical ThermodynamicsEngineering +11

Intermolecular friction symbol derived from crystal information

Chaoyang Zhang, Xianggui Xue, Yaofeng Cao, +4

CrystEngComm

Materials ScienceMolecular SolidNanotribologyEngineeringPhysics +10

Swelling of K⁺, Na⁺and Ca²⁺-montmorillonites and hydration of interlayer cations: a molecular dynamics simulation

Tao Liu, Xiaofeng Tian, Yu Zhao, +1

Chinese Physics B

Ab initio study of structural, dielectric, and dynamical properties of zinc-blende ZnX (X=O, S, Se, Te)

You Yu, Jingjing Zhou, Huilei Han, +4

Journal of Alloys and Compounds

Materials ScienceIi-vi SemiconductorDynamical PropertiesEngineeringMaterial Property +6

Electronic and dynamical properties of NiAl studied from first principles

Hongzhi Fu, Xiaofeng Li, WenFang Liu, +3

Intermetallics

EngineeringPhysicsFirst PrinciplesApplied PhysicsCondensed Matter Physics +4

Laser cooling of the alkaline-earth-metal monohydrides: Insights from an<i>ab initio</i>theory study

Yufeng Gao, Tao Gao

Physical Review A

EngineeringAlkaline-earth-metal MonohydridesLaser ScienceLaser ApplicationsLaser Material +16

Structural and elastic properties of ZrC under high pressure

Hongzhi Fu, Weimin Peng, Tao Gao

Materials Chemistry and Physics

Materials ScienceEngineeringMechanical BehaviorMechanical EngineeringHigh Pressure +4

Study on the ground state of NiO: The LSDA (GGA)+U method

Tuo Cai, Huilei Han, You Yu, +2

Physica B Condensed Matter

EngineeringNuclear PhysicsPhysicsNatural SciencesAtomic Physics +5

Phonon instability and ideal strength of silicene under tension

Chuanghua Yang, Zhongyuan Yu, Pengfei Lu, +3

Computational Materials Science

EngineeringMechanicsPhonon InstabilityApplied PhysicsSilicene +4