Chelsey Hargather, PhD

Associate Professor

Materials and Metallurgical Engineering

chelsey.hargather@xsdvoip.com
575 - 835 - 5582
琼斯15

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Video: 10 min 研究 Talk

研究领域

Improvement of Ni-base super合金 used in commercial jet engine applications using first-principles calculations and CALculation of PHAse Diagrams (CALPHAD) modeling 技术.
First-principles calculations of self-, dilute, and non-dilute diffusion coefficients in fcc and bcc metals.
Database development of Ni-base superalloy 系统 using the CALPHAD approach.

教育

Ph.D. Materials Science and Engineering, The Pennsylvania State University, 2012

B.S. in Materials Science and Engineering, Virginia Polytechnic Institute and State University, French Minor, 2008

Plain Language Summaries of Recent 研究

First-principles calculations of diffusion coefficients in metals and metal alloy 系统

The diffusion coefficients of an alloy system are critical to understanding phase formation, mechanical properties, and failure mechanisms such as a creep. 我们组 calculates vacancy mediated self- dilute impurity- and non-dilute impurity diffusion coefficients and associated thermodynamic properties as a function of temperature for a variety of metal alloy 系统. We are currently exploring the importance of vibrational entropy on the diffusion coefficient calculations, as well as calculating non-dilute impurity diffusion coefficients in the Ag-Au system.

Recent Publications

C. Z. Hargather, S. L. 商和Z. K. 刘, A comprehensive first-principles study of solute elements in dilute Ni 合金: Diffusion coefficients and their implications to tailor creep rate, under review, Acta Materialia, 2018.

CZ Hargather, SL Shang, Y Du, and ZK 刘, A first-principles study of self-diffusion coefficients of fcc Ni, Computational Materials Science, 86C, (2014), 17-23.

Recent Presentations

C. Z. Hargather, H. 李,我. M. 奥康奈尔,年代. L. 商,Z. K. 刘, First-principles calculations of factors contributing to non-dilute impurity diffusion coefficients in Metals, Materials Science and Technology (MS&T 2017) Annual meeting, October 2017.

J. M. 奥康奈尔,K. Mackowski, C. Z. Hargather, Effects of DFT exchange correlation functional on the accuracy of diffusion migration energies in Ag, Cu, and Ni 系统, Materials Science and Technology (MS&T 2017) Annual meeting, October 2017.

H. 李,我. M. 奥康奈尔, C. Z. Hargather, The effects of entropy on diffusivity determined by first-principles calculations, Student 研究 Symposium, 365彩票在线过滤, April 2017.

Efficient computational methodology for calculating elastic properties of High Entropy 合金

High entropy 合金 are a new class of engineering materials composed of equal or nearly equal quantities of five or more metals in a single solid solutions phase. With more research, they have the potential to replace conventional alloy 系统 in a variety of applications because of their improved strength-to-weight ratios, and high corrosion and oxidation resistance. 我们组 is currently focusing on developing more efficient computational methodologies using density functional theory to investigate slip and deformation behavior of various fcc and bcc high entropy alloy 系统.

Recent Publications

AM 舍尔,JD 斯特罗瑟, CZ Hargather, First-principles calculations of stacking fault energies in quinary high-entropy alloy 系统, Proceedings of the 2018 TMS Annual Meeting (The Minerals, Metals, and Materials Society), accepted, 2018.

Recent Presentations

M. 舍尔,J. D. 斯特罗瑟, C. Z. Hargather, First-principles calculations of stacking fault energies in quinary high-entropy alloy 系统, Materials Science and Technology (MS&T 2017) Annual meeting, October 2017.

M. 舍尔,J. D. 斯特罗瑟, C. Z. Hargather, Computational Investigation of High Entropy 合金 (HEAs), Student 研究 Symposium, 365彩票在线过滤, April 2017.

M. 舍尔,J. D. 斯特罗瑟, C. Z. Hargather, Computational Investigation of High Entropy 合金 (HEAs), American Scoeity for Metals (ASM International) Regional Albuquerque Chapter meeting, 2017年3月.

论文

An efficient computational methodology for calculating properties of fcc high entropy 合金 – A. 舍尔(2018)