Long-range n-body potential and applied to atomistic modeling the formation of ternary metallic glasses

2012 ◽  
Vol 31 ◽  
pp. 292-320 ◽  
Author(s):  
J.H. Li ◽  
Y. Dai ◽  
X.D. Dai
Keyword(s):  
Long Range ◽  
Metallic Glasses ◽  
Atomistic Modeling ◽  
Body Potential

Atomistic modeling to optimize composition and characterize structure of Ni–Zr–Mo metallic glasses

2015 ◽  
Vol 17 (20) ◽  
pp. 13355-13365 ◽  
Author(s):  
M. H. Yang ◽  
S. N. Li ◽  
Y. Li ◽  
J. H. Li ◽  
B. X. Liu
Keyword(s):  
Transition Metals ◽  
Long Range ◽  
Metallic Glasses ◽  
Interatomic Potential ◽  
Atomistic Modeling ◽  
Metal System ◽  
Ternary Metal

An interatomic potential was constructed for the Ni–Zr–Mo ternary metal system with the newly proposed long-range empirical formulism, which has been verified to be applicable for fcc, hcp and bcc transition metals and their alloys.

Local structure of the Zr–Al metallic glasses studied by proposed n-body potential through molecular dynamics simulation

2010 ◽  
Vol 25 (9) ◽  
pp. 1679-1688 ◽  
Author(s):  
S.Z. Zhao ◽  
J.H. Li ◽  
B.X. Liu
Keyword(s):  
Molecular Dynamics ◽  
Metallic Glasses ◽  
Short Range ◽  
Short Range Order ◽  
Range Order ◽  
Dynamics Simulation ◽  
Face Centered Cubic ◽  
Dynamics Simulations ◽  
Body Potential ◽  
Pair Analysis

An n-body potential is first constructed for the Zr–Al system and proven to be realistic by reproducing a number of important properties of the system. Applying the constructed potential, molecular dynamics simulations, chemical short-range order (CSRO) calculation, and Honeycutt and Anderson (HA) pair analysis are carried out to study the Zr–Al metallic glasses. It is found that for the binary Zr–Al system, metallic glasses are energetically favored to be formed within composition range of 35–75 at.% Al. The calculation shows that the CSRO parameter is negative and could be up to −0.17, remarkably indicating that there exists a chemical short-range order in the Zr–Al metallic glasses. The HA pair analysis also reveals that there are diverse short-range packing units in the Zr–Al metallic glasses, in which icosahedra and icosahedra/face-centered cubic (fcc)-defect structures are predominant.

Proposed Long-Range Empirical Potential To Study the Metallic Glasses in the Ni−Nb−Ta System

2009 ◽  
Vol 113 (20) ◽  
pp. 7282-7290 ◽  
Author(s):  
Y. Dai ◽  
J. H. Li ◽  
X. L. Che ◽  
B. X. Liu
Keyword(s):  
Long Range ◽  
Metallic Glasses ◽  
Empirical Potential

scholarly journals Atomic-Approach to Predict the Energetically Favored Composition Region and to Characterize the Short-, Medium-, and Extended-Range Structures of the Ti-Nb-Al Ternary Metallic Glasses

Materials ◽  
2019 ◽  
Vol 12 (3) ◽  
pp. 432
Author(s):  
Bei Cai ◽  
Jianbo Liu ◽  
Jiahao Li ◽  
Menghao Yang ◽  
Baixin Liu
Keyword(s):  
Metallic Glasses ◽  
Driving Force ◽  
Interatomic Potential ◽  
Hierarchical Structures ◽  
Range Analysis ◽  
Composition Region ◽  
Glassy Alloys ◽  
Extended Range ◽  
Ternary Metal ◽  
Body Potential

Ab initio calculations were conducted to assist the construction of the n-body potential of the Ti-Nb-Al ternary metal system. Applying the constructed Ti-Nb-Al interatomic potential, molecular dynamics and Monte Carlo simulations were performed to predict a quadrilateral composition region, within which metallic glass was energetically favored to be formed. In addition, the amorphous driving force of those predicted possible glassy alloys was derived and an optimized composition around Ti15Nb45Al40 was pinpointed, implying that this alloy was easier to be obtained. The atomic structure of Ti-Nb-Al metallic glasses was identified by short-, medium-, and extended-range analysis/calculations, and their hierarchical structures were responsible to the formation ability and unique properties in many aspects.

Time-Dependent Nucleation in Partitioning Systems

1997 ◽  
Vol 481 ◽  
Author(s):  
K. F. Kelton ◽  
K. Lakshmi Narayan
Keyword(s):  
Long Range ◽  
Metallic Glasses ◽  
Bulk Metallic Glasses ◽  
Time Dependent ◽  
New Model ◽  
Component Systems

ABSTRACTNucleation in multi-component systems is poorly understood, particularly when the rates of long-range diffusion are comparable with the rates of attachment at the cluster interface. For illustration, measurements of the time-dependent nucleation rates in silicate and metallic glasses are discussed. A new model for nucleation in partitioning systems, which explains many of devitrification microstructural features in bulk metallic glasses, is presented.

scholarly journals A Possibility of a Long Range Three-Body Force in the Hadron System

2020 ◽  
Vol 61 (4) ◽  
Author(s):  
Shinsho Oryu
Keyword(s):  
Long Range ◽  
Body Force ◽  
Index Number ◽  
Mass Dependence ◽  
Particle Transfer ◽  
The One ◽  
Three Body ◽  
Body Potential

AbstractThe existence of a kinematic long range component in the one particle transfer three-body potential or so-called “general particle transfer (GPT) potential” was proposed several years ago. In this investigation the mass dependence of the exchanged particle and the index number of the long range property are clarified. On the basis of the GPT potential, a new long range three-body force is proposed in the hadron system, which will be compared with the Efimov potential.

Thermodynamic predicting and atomistic modeling the favored compositions for Mg–Ni–Y metallic glasses

RSC Advances ◽  
2015 ◽  
Vol 5 (74) ◽  
pp. 60220-60229 ◽  
Author(s):  
Q. Wang ◽  
J. H. Li ◽  
B. X. Liu
Keyword(s):  
Metallic Glasses ◽  
Glass Formation ◽  
Thermodynamic Calculations ◽  
Atomistic Simulations ◽  
Atomistic Modeling ◽  
Composition Design ◽  
System Glass Formation

For Mg–Ni–Y system, glass formation is jointly studied by thermodynamic calculations and atomistic simulations. The prediction results have extensive implications for the Mg-based family and could be of great help for guiding the composition design.

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