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[1] Surface stabilities of 3C–SiC and H2O adsorption on the (110) surface JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2019, 102(10): 6256-6266
[2] Dehydrated Na-6[AlSiO4](6) sodalite as a promising SO2 sorbent material: A first principles thermodynamics prediction JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2019, 102(6): 3663-3672
[3] Heterointerface Induced Crystallographic Transformation: Interfacial Strain Mechanism RARE METAL MATERIALS AND ENGINEERING, 2019, 48(5): 1573-1578
[4] Nucleation of Y-X-O (X=Al, Ti, or Zr) NCs in nano-structured ferritic alloys: A first principles comparative study JOURNAL OF NUCLEAR MATERIALS, 2019, 518: 140-148
[5] Precipitation of L1(2)-phase nano-particles in dilute Al-Er-Zr alloys from the first-principles COMPUTATIONAL MATERIALS SCIENCE, 2019, 162: 171-177
[6] Formation of coherent, core-shelled nano-particles in dilute Al-Sc-Zr alloys from the first-principles JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2019, 35(5): 930-938
[7] Defective GP-zones and their evolution in an Al-Cu-Mg alloy during high-temperature aging JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 774: 988-996
[8] Experimental and DFT characterization of eta ' nano-phase and its interfaces in Al-Zn-Mg-Cu alloys ACTA MATERIALIA, 2019, 164: 207-219
[9] First-principles Calculation of alpha/omega Interface in Titanium RARE METAL MATERIALS AND ENGINEERING, 2018, 47(10): 3058-3062
[10] Fabrication and Properties of Oxide/Stainless Steel Functionally Graded Composites RARE METAL MATERIALS AND ENGINEERING, 2018, 47(10): 3155-3160
[11] Experimental and DFT characterization of interphase boundaries in titanium and the implications for omega-assisted alpha phase precipitation ACTA MATERIALIA, 2018, 151: 406-415
[12] Correlation of grain boundary extra free volume with vacancy and solute segregation at grain boundaries: a case study for Al PHILOSOPHICAL MAGAZINE, 2018, 98(6): 464-483
[13] Alloying effects of Ag on grain boundaries and alumina interfaces in copper: a first principles prediction RSC ADVANCES, 2017, 7(76): 48230-48237
[14] Assessment of the CSL and SU models for bcc-Fe grain boundaries from first principles COMPUTATIONAL MATERIALS SCIENCE, 2016, 122: 22-29
[15] First-principles based calculation of the macroscopic α/β interface in titanium JOURNAL OF APPLIED PHYSICS, 2016, 119(22):
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