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First-principles study of the structural, electronic, dynamical, and mechanical properties of Pd-Nb binary systems
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 卷号: 78, 页码: 12
Authors:
Liu, Mingfeng
;
Wang, Lei
;
Wang, Jiantao
;
Zhu, Heyu
;
Ma, Hui
;
Wei, Yan
;
Zhang, Aimin
;
Chen, Li
;
Liu, Peitao
;
Chen, Xing-Qiu
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Submit date:2022/09/16
First-principles calculations
Variable-composition evolutionary structure search
Pd-Nb binary system
Intermetallics
Electronic structures
Elastic properties
Microstructure evolution of Zr(2)Al(3)C(4) in Cu matrix
期刊论文
Journal of Materials Research, 2011, 卷号: 26, 期号: 3, 页码: 372-383
Authors:
J. Zhang
;
J. Y. Wang
;
Y. C. Zhou
Adobe PDF(1256Kb)
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Submit date:2012/04/13
Metal-ceramic Interfaces
Thermal-expansion
Crystal-structure
Part i
X-ray
Composites
Copper
Ti3alc2
Al
Temperature
Crystal facet engineering of semiconductor photocatalysts: motivations, advances and unique properties
期刊论文
Chemical Communications, 2011, 卷号: 47, 期号: 24, 页码: 6763-6783
Authors:
G. Liu
;
J. C. Yu
;
G. Q. Lu
;
H. M. Cheng
Adobe PDF(5569Kb)
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Submit date:2012/04/13
Shape-controlled Synthesis
Exposed 001 Facets
Rutile Tio2 Nanorods
Visible-light Photocatalysis
Solvent-solute Interactions
Anatase
Titanium(Iv) Oxide
Low-temperature Synthesis
Ordered Solid-phases
Platinum Nanocrystals
Hydrogen-production
Effect of Sn addition on the glass-forming ability and mechanical properties of Ni-Nb-Zr bulk metallic glasses
期刊论文
Chinese Science Bulletin, 2011, 卷号: 56, 期号: 36, 页码: 3926-3931
Authors:
D. K. Li
;
H. F. Zhang
;
A. M. Wang
;
Z. W. Zhu
;
Z. Q. Hu
Adobe PDF(835Kb)
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Submit date:2012/04/13
Metallic Glasses
Glass Transition
Thermal Stability
Mechanical
Properties
Amorphous-alloys
High-strength
Shear Bands
System
Plasticity
Fabrication
Initiation
Mm
Atomic parameter model for the solid solubilities in binary transition metal based alloys
期刊论文
Indian Journal of Physics, Indian Journal of Physics, 2011, 2011, 卷号: 85, 85, 期号: 2, 页码: 261-270, 261-270
Authors:
S. Z. Liao
;
H. Y. Zhou
;
Z. A. Zhou
;
H. W. Xie
;
Y. F. Ouyang
;
B. W. Zhang
Adobe PDF(520Kb)
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Submit date:2012/04/13
Solid Solubility
Solid Solubility
Transition Metal
Transition Metal
Binary Alloy
Binary Alloy
Atomic Parametric
Atomic Parametric
Model
Model
Ellipse Model
Ellipse Model
Prediction
Prediction
Ab initio calculation of the geometric, electronic and magnetic properties of neutral and anionic Au(n)Pd (n=1-9) clusters
期刊论文
Molecular Physics, 2011, 卷号: 109, 期号: 11, 页码: 1485-1494
Authors:
M. Ai-Jie
;
K. Xiao-Yu
;
C. Gang
;
Z. Ya-Ru
;
L. Yan-Fang
;
L. Peng
;
Z. Chi
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Submit date:2012/04/13
Neutral And Anionic Au(n)Pd Clusters
Geometrical Configuration
Density
Function Method
Generalized Gradient Approximation
Photoelectron-spectroscopy
Palladium Clusters
Gold Nanoclusters
Metal-clusters
Exchange
Nanoparticles
Molecules
Chemistry
Au-n(-)
Valence band structure of the NiAl-Mo alloy from the photoelectron spectrum
期刊论文
Philosophical Magazine Letters, 2010, 卷号: 90, 期号: 5, 页码: 299-311
Authors:
H. Wei
;
J. J. Liang
;
P. Peng
;
Q. Zheng
;
X. F. Sun
;
B. Z. Sun
;
M. S. Dargusch
;
X. Yao
Adobe PDF(467Kb)
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Submit date:2012/04/13
Nial-mo Alloys
Valance Band Structure
Auger Electron Spectroscopy
Atomic Emission-spectrometry
Electronic-structure
Auger Parameter
Site Preference
Cr
Photoemission
Stability
Magnetism
Additions
Systems
A new parameter to evaluate the glass-forming ability of bulk metallic glasses
期刊论文
Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing, 2010, 卷号: 528, 期号: 1, 页码: 429-433
Authors:
Z. Y. Suo
;
K. Q. Qiu
;
Q. F. Li
;
J. H. You
;
Y. L. Ren
;
Z. Q. Hu
Adobe PDF(434Kb)
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Submit date:2012/04/13
Criterion
Glass-forming Ability
Thermal Analysis
Glass Transition
Enthalpy
Mg-cu-y
Amorphous-alloys
Thermal-stability
Mechanical-properties
Transition Temperature
Supercooled Liquid
Casting Method
Cooling
Rate
Criterion
Zr
Geometries, Stabilities, and Electronic Properties of Small Anion Mg-Doped Gold Clusters: A Density Functional Theory Study
期刊论文
Journal of Physical Chemistry A, 2010, 卷号: 114, 期号: 43, 页码: 11691-11698
Authors:
Y. F. Li
;
X. Y. Kuang
;
S. J. Wang
;
Y. R. Zhao
Adobe PDF(1815Kb)
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Submit date:2012/04/13
Photoelectron-spectroscopy
Bimetallic Clusters
Optical-properties
Binary Clusters
Silver Clusters
Molecules
Metal
Chemistry
Aumg
Predictions
The standard enthalpies of formation of binary intermetallic compounds of some late 4d and 5d transition metals by high temperature direct synthesis calorimetry
期刊论文
Journal of Alloys and Compounds, 2010, 卷号: 492, 期号: 1-2, 页码: 105-115
Authors:
S. V. Meschel
;
P. Nash
;
X. Q. Chen
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Submit date:2012/04/13
Transition Metal Alloys
Thermodynamics
Enthalpies
Total-energy Calculations
Wave Basis-set
Ab-initio
Thermodynamic
Properties
Intermediate Phases
Systems Feti
Laves Phases
Nb-rh
Alloys
Cobalt