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Philosophical Magazine Volume 89, 2009 - Issue 2
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Original Articles

Molecular dynamics simulation of diffusion in supercooled Cu–Zr alloys

M.I. Mendelev Materials and Engineering Phys. Program, Ames Laboratory, Ames, IA 50011, USACorrespondence[email protected]
,
M.J. Kramer Materials and Engineering Phys. Program, Ames Laboratory, Ames, IA 50011, USA
,
R.T. Ott Materials and Engineering Phys. Program, Ames Laboratory, Ames, IA 50011, USA
&
D.J. Sordelet Materials and Engineering Phys. Program, Ames Laboratory, Ames, IA 50011, USA
Pages 109-126 | Received 02 Jul 2008, Accepted 16 Oct 2008, Published online: 21 Jan 2009

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M. Celtek & S. Sengul. (2018) The characterisation of atomic structure and glass-forming ability of the Zr–Cu–Co metallic glasses studied by molecular dynamics simulations. Philosophical Magazine 98:9, pages 783-802.
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M.I. Mendelev, M.J. Kramer, R.T. Ott, D.J. Sordelet, M.F. Besser, A. Kreyssig, A.I. Goldman, V. Wessels, K.K. Sahu, K.F. Kelton, R.W. Hyers, S. Canepari & J.R. Rogers. (2010) Experimental and computer simulation determination of the structural changes occurring through the liquid–glass transition in Cu–Zr alloys. Philosophical Magazine 90:29, pages 3795-3815.
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Yun Xia, Zhuocheng Xie, Jiadong Zuo, Kai Wu, Xiaohu Yao, Gang Liu & Jun Sun. (2023) Fatigue tolerance of nanostructured Cu/interlayer bilayers: Tuned by heterogeneous interface. Scripta Materialia 234, pages 115563.
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R. M. Belyakova, E. D. Kurbanova, N. I. Sidorov & V. A. Polukhin. (2022) Nb–Ni- and V–Ni-Based Membranes for High-Purity Hydrogen Production. Russian Metallurgy (Metally) 2022:8, pages 851-860.
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J. Zollinger, D. Aboudi, S. Migot & J. Ghanbaja. (2022) A liquid to amorphous transition in Cu-Zr diffusion couples at low cooling rate from chemically constrained liquid. Journal of Non-Crystalline Solids 590, pages 121672.
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D.D. Wen, P. Peng, Y.Q. Jiang, Z.A. Tian, R.S. Liu & K.J. Dong. (2014) The effect of cooling rates on hereditary characteristics of icosahedral clusters in rapid solidification of liquid Cu56Zr44 alloys. Journal of Non-Crystalline Solids 388, pages 75-85.
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D.D. Wen, P. Peng, Y.Q. Jiang & R.S. Liu. (2013) On the heredity and evolution of icosahedral clusters during the rapid solidification of liquid Cu50Zr50 alloys. Journal of Non-Crystalline Solids 378, pages 61-70.
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N. Jakse, T. L. T. Nguyen & A. Pasturel. (2013) Local order and dynamic properties of liquid and undercooled Cu55Hf45 and Cu62Hf38 alloys by ab initio molecular dynamics . Journal of Applied Physics 114:6.
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H.P. Wang, S.J. Yang & B. Wei. (2012) Molecular dynamics prediction of density for metastable liquid noble metals. Chemical Physics Letters 539-540, pages 30-34.
Crossref
Y. Zhang, N. Mattern & J. Eckert. (2012) Study of direct relationship between atomic structures and glass forming abilities of Cu100-x Zrx (0≤x≤10) liquids by molecular dynamics simulations. Journal of Applied Physics 111:5.
Crossref
S. G. Hao, C. Z. Wang, M. Z. Li, R. E. Napolitano & K. M. Ho. (2011) Dynamic arrest and glass formation induced by self-aggregation of icosahedral clusters in Zr Cu alloys . Physical Review B 84:6.
Crossref
X. J. Han & H. R. Schober. (2011) Transport properties and Stokes-Einstein relation in a computer-simulated glass-forming Cu Zr melt . Physical Review B 83:22.
Crossref
Y. Zhang, N. Mattern & J. Eckert. (2011) Molecular dynamic simulation study of the structural anisotropy in Cu50Zr50 and Cu64.5Zr35.5 metallic glasses induced by static uniaxial loading within the elastic regime. Journal of Alloys and Compounds 509, pages S74-S77.
Crossref
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Crossref
H.P. Wang & B. Wei. (2010) Positive excess volume of liquid Fe–Cu alloys resulting from liquid structure change. Physics Letters A 374:47, pages 4787-4792.
Crossref
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Crossref
J. Feng, B. Xiao, L. Liu, J. Chen, Y. Du & R. Zhou. (2010) Molecular dynamical simulation of the behavior of early precipitated stage in aging process in dilute Cu–Cr alloy. Journal of Applied Physics 107:11.
Crossref
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Crossref
D. Ma, A. D. Stoica, X-L. Wang, Z. P. Lu, M. Xu & M. Kramer. (2009) Efficient local atomic packing in metallic glasses and its correlation with glass-forming ability. Physical Review B 80:1.
Crossref
Julien Zollinger, D. Aboudi, Sylvie Migot & Jaafar Ghanbaja. (2022) A Liquid to Amorphous Transition in Cu-Zr Diffusion Couples at Low Cooling Rate from Chemically Constrained Liquid. SSRN Electronic Journal.
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