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 03/26 (Tue) Prof. Jae-Byum Chang (KAIST MSE) ADMINI 2019.03.22 9
Notice Regular 03/19 (Tue) Dr. YangKoo Cho (Korea Research Institute of Standard and Science) ADMINI 2019.03.18 95
Notice Regular 3/12 (Tue) Prof. Chang Dong Yoo (KAIST EE) ADMINI 2019.03.12 93
Notice Regular 2/26 (Tue) Dr. Hye-Young Kim (Senior Venture Association) ADMINI 2019.02.22 201
» Special 1/28 (Mon) Prof. Yongjin Lee (Shanghai Tech Univ.) ADMINI 2019.01.23 518
Notice Regular 12/4 (Tue) Prof. Doo Seok Jeong (Hanyang Univ., Department of MSE) ADMINI 2018.11.30 864
Notice Regular 11/27 (Tue) Prof. Seong-Jun Jeong (Soongsil Univ.) ADMINI 2018.11.26 709
249 Special 2/13 (Tue) Prof. Sungkyu Kim (Northwestern Univ) ADMINI 2018.01.31 540
248 Special 1/9 (Tue) Dr. Choon Won Byeon, ETRI ADMINI 2018.01.09 540
247 12/23 (Sat) Prof. Liangbing (Bing) Hu/Univ. of Maryland file ADMINI 2017.12.22 552
246 Regular 11/28 (Tue) Dr. Woo-Jin Lee (Ministry of Science and ICT.) ADMINI 2017.11.24 1203
245 Special 11/24 (Fri) Takashi NOGUCH (University of the Ryukyus) ADMINI 2017.11.23 878
244 Special 11/21 (Tue) Dr. Young Ki Lee (ETRI) file ADMINI 2017.11.20 1044
243 Special 11/22 (Wed) Prof. Sung Hoon Kang (Johns Hopkins University) file ADMINI 2017.11.20 1280
242 Regular 11/21 (Tue) Dr. Byoung Koun Min, (KIST) ADMINI 2017.11.17 1456
241 Special 11/13 (Mon) Dr. Hans Aage Hiuler (Danish Power System) ADMINI 2017.11.10 1524
240 Special 11/13 (Mon) Prof. Jens Oluf Jensen (Technical University of Denmark) ADMINI 2017.11.10 786
239 Regular 11/14 (Tue) Prof. Jae-Byum Chang (Sungkyunkwan Univ) ADMINI 2017.11.10 755
238 Regular 11/7 (Tue) Prof. Su-Mi Hur (Chonnam National University) ADMINI 2017.11.05 603
237 Regular 10/31 (Tue) Director Jang Sae Young (Samsung Electronics) ADMINI 2017.10.26 616
236 Special 11/6 (Mon) Prof. Redouane Borsali (Grenoble Alpes University) ADMINI 2017.10.26 773
235 Special 11/6 ~ 7 Prof. Erik Luijten (Northwestern University) file ADMINI 2017.10.25 642
234 Special 10/23 ~ 24 Prof. Paul C. McIntyre (Stanford University) file ADMINI 2017.10.25 566
233 Regular 10/24 (Tue) Prof. Sun-Jae Kim (Sejong, Univ) ADMINI 2017.10.20 1006
232 Special 10/19 (Thu) Prof. Sang Cheol, Jung (Suncheon University) ADMINI 2017.10.18 1328
231 Regular 10/10 (Tue) Dr. Joo Choi (POSCO) ADMINI 2017.09.29 2253
230 Regular 9/26 (Tue) Prof. Tae-Woo Lee (Seoul National University) ADMINI 2017.09.22 1484
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