Duan, Gang and Xu, Donghua and Zhang, Qing and Zhang, Guoyun and Çağin, Tahir and Johnson, William L. and Goddard, William A., III
(2005)
Molecular dynamics study of the binary Cu_(46)Zr_(54) metallic glass motivated by experiments: Glass formation and atomic-level structure.
Physical Review B, 71
(22).
Art. No. 224208.
ISSN 1098-0121.
https://resolver.caltech.edu/CaltechAUTHORS:DUAprb05
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Abstract
We have identified a binary bulk metallic glass forming alloy Cu_(46_Zr_(54) by analyzing the structure and thermal behaviors of copper mold cast samples using x-ray diffraction, transmission electron microscopy, and differential scanning calorimeter. Motivated by these experimental results, we fitted the effective Rosato-Guillope-Legrand-type force field parameters for the binary Cu-Zr alloy system and the atomistic description of glass formation and structure analysis of the Cu_(46)Zr_(54) alloy based on molecular dynamics simulation will be also presented.
| Item Type: | Article |
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| Additional Information: | © 2005 The American Physical Society.
(Received 7 December 2004; revised 8 March 2005; published 29 June 2005)
We thank Professor Konrad Samwer and Jin-yoo Suh for many valuable discussions. This work was supported by the Defense Advanced Research Projects Agency (DARPA), Defense Sciences Office under ARO Grant No. DAAD19-01-0525 and the MRSEC Program (Center for the Science and Engineering Materials, CSEM) of the National Science Foundation under Award Number DMR-0080065. The facilities of the Materials and Process Simulation Center are also supported by the Department of Energy in addition to the National Science Foundation, ARO-MURI, MURI-ONR, General Motors, Chevron Texaco, Seiko-Epson, Nissan Corp., and the Beckman Institute. |
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| Funders: | | Funding Agency | Grant Number |
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| Defense Advanced Research Projects Agency (DARPA) | UNSPECIFIED | | Army Research Office (ARO) | DAAD19-01-0525 | | NSF | DMR-0080065 | | Office of Naval Research (ONR) | UNSPECIFIED | | General Motors | UNSPECIFIED | | ChevronTexaco | UNSPECIFIED | | Seiko-Epson | UNSPECIFIED | | Nissan Corp. | UNSPECIFIED | | Caltech Beckman Institute | UNSPECIFIED |
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| Subject Keywords: | molecular dynamics method; copper alloys; zirconium alloys; glass structure; metallic glasses; vitrification; X-ray diffraction; transmission electron microscopy; differential scanning calorimetry |
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| Other Numbering System: | | Other Numbering System Name | Other Numbering System ID |
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| WAG | 0619 |
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| Issue or Number: | 22 |
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| Record Number: | CaltechAUTHORS:DUAprb05 |
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| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:DUAprb05 |
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| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. |
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| ID Code: | 2177 |
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| Collection: | CaltechAUTHORS |
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| Deposited By: |
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| Deposited On: | 13 Mar 2006 |
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| Last Modified: | 21 Feb 2020 22:46 |
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