신소재공학과

Seminar

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Date 20190128

<MSE SPECIAL SEMINAR>

 

■ Title : Computational Discovery and Design of Materials for Energy Technologies

 

■ Speaker : Prof. Yongjin Lee (ShanghaiTech Univ.) 


■ Date and Time : 2019/1/28 (Mon) 16:00 

 

■ Venue : Applied Engineering Building (W1-1) Room #2427 

 

■ Abstract :

With the amazing advance in computer technology since the late 20th century, computational research is increasingly important particularly in the fields of materials science. In today’s materials science, a critical issue is to gain a deeper understanding about quantitative and qualitative relationship among their synthesis conditions, structures, and properties. In this regard, computational modeling can provide researchers with significant insights into atomic-level interactions and underlying fundamental theories. Furthermore, nowadays, while novel synthetic methodologies allow experimentalists to create billions of possible materials, however, in practice we can only synthesize and test a small fraction of them. Therefore, a key challenge is to develop rational strategies to find the best performing materials given these experimental constraints. Big data techniques and machine learning can contribute to solve this issue by uncovering complex relations between observed behavior and the underlying mechanisms.

In this talk, I will discuss our efforts into computational discovery and design of novel materials for energy related applications. In the first part, I will focus on development of silicon-based thermoelectric (TE) materials. To develop high performance silicon-based TE materials, a key issue has been how to further reduce thermal conductivity (k) beyond the so-called alloy limit which is the minimum k of silicon germanium (SiGe) alloy. I will first describe critical factors determining k of SiGe, and then discuss the possibility of lowering κ below the alloy limit with utilizing ternary alloying and poly-crystallizing. In the second part, I will present development of a descriptor to identify nanoporous materials using big-data analysis and show that our descriptor successfully discovered top-performing structures for methane storage applications from nanoporous materials genome. Furthermore, using big-data analysis it will be explained that top performing materials can be divided into topologically distinct classes and that each class requires different optimisation strategies.


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No. Category Subject Author Date Views
Notice Regular 6/4 (Tue) Prof. SangBum Kim (Dept. of MSE, SNU) ADMINI 2019.05.31 477
Notice Regular 5/28 (Tue) Prof. Seok Su Sohn (Dept. of MSE, Korea Univ.) ADMINI 2019.05.24 446
Notice Regular 5/21 (Tue) Emeritus Prof. Joong Keun Park (Dept. of MSE, KAIST) ADMINI 2019.05.17 454
Notice Regular 5/17 (Tue) Prof. Su-Hyun Gong (Dept. of Physics, Korea Univ.) ADMINI 2019.05.10 950
Notice Special 5/7 (Tue) Prof. Dr. -ing. Dierk Raabe (MPIE) ADMINI 2019.04.30 763
Notice Regular 4/30 (Tue) Prof. Min Hyuk Park (School of MSE, Pusan National Univ.) ADMINI 2019.04.25 547
Notice Regular 4/23 (Tue) Prof. Seungwu Han (Dept. of MSE, SNU) ADMINI 2019.04.19 308
198 Regular 10/8 (화) Dr. Joon-Jeong Yi (Future Explorer/Science Columnist, Institute of Exploring the Future) Administrator 2013.10.01 5854
197 Regular 10/15 (화) Prof. Yong-beom Lim (Dept. of MSE, Yonsei University) Administrator 2013.10.01 5871
196 Regular 10/29 (화) Prof. Byeong-Su Kim (UNIST, Interdisciplinary School of Green) Administrator 2013.10.01 5846
195 Regular 11/5 (화) Prof. Byungwoo Kang (POSTECH, Dept. of MSE) Administrator 2013.10.29 5929
194 Regular 11/12 (화) Dr. Sangyoon Lee (SAIT, Emerging material research center) Administrator 2013.10.29 5977
193 Regular 11/19 (화) Dr. Jeung-hyun Jeong (KIST, Photo-electronic Hybrids) Administrator 2013.10.29 5784
192 Regular 11/26 (화) Prof. Young Keun Kim (Korea University, Dept. of MSE) Administrator 2013.10.29 7317
191 Regular 12/3 (화) Dr. Woo Jin Lee (미래창조과학부 창조경제기반담당관 기술서기관) Administrator 2013.11.29 5881
190 Regular 12/10 (화) Prof. Nong-moon Hwang (Dept. of MSE, Seoul National University) Administrator 2013.11.29 6109
189 Regular 3/4 (화) 신병하 교수 (KAIST 신소재공학과) Administrator 2014.02.25 6664
188 Regular 3/11 (화) 최윤섭 박사 (KT 융합기술원) Administrator 2014.03.06 5948
187 Regular 3/18 (화) 복철규 상무 (SK 하이닉스반도체 미래기술연구원) Administrator 2014.03.12 6114
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185 Special 3/27 (목) 남성욱 박사 (IBM T.J. Watson Research Center, Research Scientist) Administrator 2014.03.24 6561
184 Regular 4/1(화) 장호원 교수 (서울대학교 재료공학부) Administrator 2014.03.26 6483
183 Regular 4/8(화) 이종흔 교수 (고려대학교 신소재공학부) Administrator 2014.04.08 8050
182 Regular 4/15 (화) 김수호 박사 (Chief Technology Offiicer, Alantum Corporation) Administrator 2014.04.11 6281
181 Special 4/22 (화) 조은애 박사 (Fuel Cell Research Center, KIST) Administrator 2014.04.21 6416
180 Regular 4/29 (화) 박상희 교수 (KAIST 신소재공학과) Administrator 2014.04.23 7720
179 Special 4/29 (화) Dr. Aron Walsh (Univ. of Bath, UK) Administrator 2014.05.01 4962
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