敬啟者，您好:
台灣理論計算分子科學學會自2021年起建置一個平台能讓會員們多了解年輕學者的研究方向，促進相互了解。「理論與計算分子科學論壇」將採線上演講方式(Webex)進行，5月26日星期四晚上6點邀請到Prof. David Srolovitz，報名從速，請勿錯過。
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T2CoMSA Forum
Speaker: Prof. David Srolovitz (Dept. of Mechanical Engineering, The University of Hong Kong)
https://www.mech.hku.hk/academic-staff/Srolovitz-David
Title: Atom Size Dispersion Effects in the Thermodynamics of High Entropy Alloys
Time: 6:00pm, Thursday, May 26, 2022 (GMT+8)
Registration: https://forms.gle/7R24LHrXr1YEzEoX6
Registration deadline: noon, May 26, 2022 (GMT+8)
Language: English
Abstract:
High entropy alloys (HEAs) (solid-solution, nearly equi-atomic, multicomponent alloys) are stabilised by the configurational entropy associated with randomly distributing the elemental constituents amongst lattice sites. In this talk, I will examine the role of differing atomic size on stabilising these alloys and controlling their structural, mechanical and thermodynamic properties. This is done through statistical mechanics analysis and molecular dynamics simulations of simple 1D and 2D systems and a 3D crystal in a model where all bonds are harmonic and atomic sizes vary. This approach rigorously captures the effects of this atomic size dispersion and temperature on universal thermodynamic, structural, and elastic features through a single, effective temperature. Atomic size disorder greatly stabilises HEAs by raising the effective temperature; this increases the stability of a solid solution relative to phase separation or ordering. Atomic size disorder can also be manipulated in HEAs to create a material with a zero coefficient of thermal expansion (the Invar effect). We quantify these effects by application to a wide range of high entropy alloys.
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台灣理論計算分子科學學會
Taiwan Theoretical and Computational Molecular Sciences Association
Website: http://www.t2comsa.tw/
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Email: t2comsa@gmail.com
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