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.


List of Articles
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
278 Special 6/24 (금) Prof. Akram Boukai (University of Michigan, Ann Arbor) Administrator 2011.11.04 8446
277 Special [WCU-FS 사업단 세미나] 6/29 (수) 16:00 Prof. Digby D. Macdonald (Pennsylvania State University) Administrator 2011.11.04 10565
276 Special 8/25 (목) 박병국 박사 (Hitachi Cambridge Laboratory, Cavendish Laboratory) Administrator 2011.11.04 8575
275 Regular [공지] 2011년 가을학기 신소재공학과 정기세미나 안내 file Administrator 2011.11.04 15376
274 Regular 9/6 (화) 남윤성 교수 (KAIST 신소재공학과) file Administrator 2011.11.04 14464
273 Special [KI 목요세미나] 9/22 (목) 16:00 정희태 교수 (KAIST 생명화학공학과) Administrator 2011.11.04 8924
272 Regular 9/20 (화) Prof. Manfred Martin (서울대학교 신소재공학과) file Administrator 2011.11.04 9111
271 Regular 9/27 (화) 김규영 교수 (POSTECH 철강대학원) file Administrator 2011.11.04 9716
270 Regular 10/4 (화) Prof. Didier Pribat (성균관대학교 에너지과학과) file Administrator 2011.11.04 9232
269 Regular 10/11 (화) 조성준 교수 (전남대학교 응용화학공학부 file Administrator 2011.11.04 11443
268 Special 10/19 (수) Dr. Miso Kim (MIT) Administrator 2011.11.04 11833
267 Regular 10/18 (화) 이윤정 교수 (한양대학교 WCU, 에너지공학과) file Administrator 2011.11.04 11407
266 Regular 11/1 (화) 윤명한 교수 (광주과학기술원 신소재공학부) file Administrator 2011.11.04 11313
265 Special 10/31 (월) 조 욱 박사 (Technische Universität Darmstadt, Germany) file Administrator 2011.11.04 9177
264 Special 11/4 (금) 권성훈 교수 (서울대학교) Administrator 2011.11.04 8596
263 Special 11/8 (화) 박수재 박사 (IBM T.J. Watson Research Center) file Administrator 2011.11.04 8775
262 Regular 11/8 (화) 유지범 교수 (성균관대학교 공과대학 학장 ) file Administrator 2011.12.05 9758
261 Regular 11/15 (화) 김진웅 교수 (한양대학교 응용화학과) file Administrator 2011.12.05 11329
260 Special 11/16 (화) 신종화 연구조교수 (KAIST, 물리학과) file Administrator 2011.12.05 9536
259 Regular 11/22 (화) 석준일 교수 (메릴랜드대학 재료과 바이오공학과) file Administrator 2011.12.05 9613
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