Role of hydrogen on the structural stability, mechanical and thermodynamic properties of the cubic TM3Si silicides

The vacancy defects and oxygen atoms occupation effects on mechanical and electronic properties of Mo5Si3 silicides

(2021) Jiaying Chen et al.   COMMUNICATIONS IN THEORETICAL PHYSICS

First‐principles investigation of electronic and optical properties of H‐doped FeS 2

(2021) Yong Pan et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Noble metal interlayer-doping enhances the catalytic activity of 2H–MoS2 from first-principles investigations

(2021) Shuang Chen et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Insight into the Mechanical Properties and Fracture Behavior of Pt3Al Coating by Experiment and Theoretical Simulation

(2021) Yong Pan   JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE

Influence of noble metals on the electronic and optical properties of the monoclinic ZrO2: A first-principles study

(2021) Yong Pan et al.   VACUUM

First-principles investigation of structural stability, mechanical and thermodynamic properties of Pt3Zr5 compounds

(2021) Yong Pan et al.   PHYSICA B-CONDENSED MATTER

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

Exploring the novel structure, transportable capacity and thermodynamic properties of TiH 2 hydrogen storage material

(2020) Yong Pan et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

Hydrogen embrittlement suscetibility on X-120 microalloyed steel as function of tempering temperature

(2020) Julio C. Villalobos et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

The hydrogenation mechanism of PtAl and IrAl thermal barrier coatings from first-principles investigations

(2020) Y. Pan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Influence of alloying elements on the mechanical and thermodynamic properties of ZrB 12 ceramics from first‐principles calculations

(2020) Yong Pan et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Aluminide and silicide diffusion coatings by pack cementation for Nb-Ti-Al alloy

(2020) N. Chaia et al.   SURFACE & COATINGS TECHNOLOGY

Influence of vacancy on the elastic properties, ductility and electronic properties of hexagonal C40 MoSi2 from first-principles calculations

(2020) Yong Pan et al.   VACUUM

Influence of alloying elements on the structural stability, elastic, hardness and thermodynamic properties of Mo5SiB2 from first-principles calculations

(2020) Yong Pan et al.   CERAMICS INTERNATIONAL

Exploration of stable stoichiometries, ground-state structures, and mechanical properties of the W–Si system

(2020) Haiyan Yan et al.   CERAMICS INTERNATIONAL

Microstructure and thermoelectric properties of higher manganese silicides fabricated via gas atomization and spark plasma sintering

(2020) Lei Liu et al.   MATERIALS CHEMISTRY AND PHYSICS

Influence of high pressure on the structure, hardness and brittle-to-ductile transition of NbSi2 ceramics

(2020) D.L. Pu et al.   CERAMICS INTERNATIONAL

Sulfur vacancy enhances the electronic and optical properties of FeS2 as the high performance electrode material

(2020) Yong Pan et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Structural Stability and Electronic and Optical Properties of Bulk WS2 from First-Principles Investigations

(2020) Shuang Chen et al.   JOURNAL OF ELECTRONIC MATERIALS

Origin of the antioxidation mechanism of RuAl(1 1 0) surface from first-principles calculations

(2020) Y. Pan et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Structural, electronic, mechanical and thermodynamic properties of Cr–Si binary silicides from first-principles investigations

(2020) Y. Pan et al.   VACUUM

The influence of lattice vibrations and electronic free energy on phase stability of titanium silicides and Si solubility in hcp titanium: A DFT study

(2019) A.I. Kartamyshev et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

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 structural, mechanical, and thermodynamic properties of B2‐type TMZr (TM = Ru, Mo, Rh, Os, and Re) compounds from first‐principles calculations

(2019) Yong Pan et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Influence of Oxygen Vacancies on the Electronic and Optical Properties of Zirconium Dioxide from First-Principles Calculations

(2019) Yong Pan   JOURNAL OF ELECTRONIC MATERIALS

Influence of hydrogen on mechanical and thermodynamic properties of α-Nb5Si3 from first-principles calculations

(2019) Yong Pan et al.   PHILOSOPHICAL MAGAZINE

Protective aluminide coating by pack cementation for Beta 21-S titanium alloy

(2019) N. Chaia et al.   CORROSION SCIENCE

Oxidation behaviour of a Ge-modified silicide coating on an Nb-Si based alloy in the moderate temperature range

(2019) Changliang Wang et al.   CORROSION SCIENCE

Influence of Vacancy on the Mechanical, Electronic and Thermodynamic Properties of Mo5SiB2 from First-Principles Calculations

(2019) Yong Pan et al.   JOURNAL OF ELECTRONIC MATERIALS

Low temperature deformation of MoSi2 and the effect of Ta, Nb and Al as alloying elements

(2019) Carolin Zenk et al.   ACTA MATERIALIA

Theoretical prediction of new structure, mechanical properties, anisotropy in elasticity and thermodynamic properties of Mo3Ge material

(2019) Xudong Zhang et al.   VACUUM

First-principles study of the effect of Cr and Al on the oxidation resistance of WSi 2

(2018) Shuanglun Wang et al.   CHEMICAL PHYSICS LETTERS

Influence of Alloying Elements on the Mechanical Properties of PtAl2 from First-Principles Calculations

(2018) Yong Pan et al.   JOM

Insight into the oxidation mechanism of MoSi2: Ab-initio calculations

(2018) Yong Pan et al.   CERAMICS INTERNATIONAL

Chromium silicide-based composites fabricated via solid-state reactions: Phase development, oxidation behavior and electrical properties at high-temperatures

(2018) Gunes A. Yakaboylu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Insight into the oxidation mechanism of Nb3Si(111) surface: First-principles calculations

(2018) Yong Pan et al.   MATERIALS RESEARCH BULLETIN

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

(2018) Xudong Zhang et al.   SOLID STATE COMMUNICATIONS

Insight into the electronic and thermodynamic properties of NbSi2 from first-principles calculations

(2018) Shuanglun Wang et al.   RSC Advances

“Refractory Metal, RM – Wrap”: A tailorable, pressure-less joining technology

(2018) Pardeep Kumar Gianchandani et al.   CERAMICS INTERNATIONAL

Effect of MgO micro-powder on the characteristics of micro-arc oxidation coatings

(2018) Ping Wang et al.   SURFACE ENGINEERING

Mechanical properties and fracture behavior of an Nb-Silicide in situ composite

(2017) J.L. Yu et al.   INTERMETALLICS

Probing the balance between ductility and strength: transition metal silicides

(2017) Y. Pan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural, elastic and thermodynamic properties of Mo3Si and Mo3Ge

(2016) Sheng-Yi Zhong et al.   EUROPEAN PHYSICAL JOURNAL B

Effect of NaAlO2 concentrations on the properties of micro-arc oxidation coatings on pure titanium

(2016) Wang Ping et al.   MATERIALS LETTERS

Microstructure, mechanical properties and oxidation resistance of Nb silicide based ultrahigh temperature alloys with Hf addition

(2015) Song Zhang et al.   MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

Ab initio study of the intermetallics in Nb–Si binary system

(2014) I. Papadimitriou et al.   INTERMETALLICS

Microstructure and mechanical properties of a Mo-toughened Mo3Si-based in situ nanocomposite

(2014) Jiang Xu et al.   VACUUM

Effect of Nb and W substitutions on the stability of the A15 Mo3Si phase

(2012) P.K. Ray et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Modeling hardness of polycrystalline materials and bulk metallic glasses

(2011) Xing-Qiu Chen et al.   INTERMETALLICS

Influence of vibrational entropy on structural stability of Nb–Si and Mo–Si systems at elevated temperatures

(2009) Yue Chen et al.   ACTA MATERIALIA

Effect of alloying elements on the elastic properties of Mg from first-principles calculations

(2009) S. Ganeshan et al.   ACTA MATERIALIA

First-principles study of the structural, electronic, vibrational, and elastic properties of orthorhombic NiSi

(2009) D. Connétable et al.   PHYSICAL REVIEW B

First-principles calculations ofMnB2,TcB2, andReB2within theReB2-type structure

(2009) Sezgin Aydin et al.   PHYSICAL REVIEW B