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 5/21 (Tue) Emeritus Prof. Joong Keun Park (Dept. of MSE, KAIST) ADMINI 2019.05.17 13
Notice Regular 5/17 (Tue) Prof. Su-Hyun Gong (Dept. of Physics, Korea Univ.) ADMINI 2019.05.10 167
Notice Special 5/7 (Tue) Prof. Dr. -ing. Dierk Raabe (MPIE) ADMINI 2019.04.30 111
Notice Regular 4/30 (Tue) Prof. Min Hyuk Park (School of MSE, Pusan National Univ.) ADMINI 2019.04.25 299
Notice Regular 4/23 (Tue) Prof. Seungwu Han (Dept. of MSE, SNU) ADMINI 2019.04.19 123
Notice Regular 4/9 (Tue) Prof. Ji Young Jo (GIST, School of MSE) ADMINI 2019.04.05 142
Notice Regular 4/2 (Tue) Prof. Li Oi Lun (Dept. of MSE, Pusan National Univ.) ADMINI 2019.03.29 177
256 Regular 3/27 (Tue) Prof. Seungbum Hong (KAIST MSE) ADMINI 2018.03.26 657
255 Regular 3/20 (Tue) Prof. Jung In-Ho (Seoul National University, MSE) ADMINI 2018.03.20 578
254 Regular 3/13 (Tue) Prof. Jong-Beom Baek (School of Energy and Chemical Engineering, UNIST) ADMINI 2018.03.13 542
253 Regular 3/6 (Tue) Prof. Seok-Young Ryu (KAIST CS) ADMINI 2018.03.05 444
252 Regular 2/27 (Tue) Dr. Jin-Woo Han (NASA) ADMINI 2018.02.27 518
251 Special 2/20 (Tue) Dr. Jae Beom Jang (Sungkyunkwan Univ) ADMINI 2018.02.19 489
250 Special 2/8 (Thu) Prof. Pei-Chen Su (Nanyang Technological University) file ADMINI 2018.02.05 521
249 Special 2/13 (Tue) Prof. Sungkyu Kim (Northwestern Univ) ADMINI 2018.01.31 546
248 Special 1/9 (Tue) Dr. Choon Won Byeon, ETRI ADMINI 2018.01.09 546
247 12/23 (Sat) Prof. Liangbing (Bing) Hu/Univ. of Maryland file ADMINI 2017.12.22 559
246 Regular 11/28 (Tue) Dr. Woo-Jin Lee (Ministry of Science and ICT.) ADMINI 2017.11.24 1214
245 Special 11/24 (Fri) Takashi NOGUCH (University of the Ryukyus) ADMINI 2017.11.23 890
244 Special 11/21 (Tue) Dr. Young Ki Lee (ETRI) file ADMINI 2017.11.20 1052
243 Special 11/22 (Wed) Prof. Sung Hoon Kang (Johns Hopkins University) file ADMINI 2017.11.20 1285
242 Regular 11/21 (Tue) Dr. Byoung Koun Min, (KIST) ADMINI 2017.11.17 1478
241 Special 11/13 (Mon) Dr. Hans Aage Hiuler (Danish Power System) ADMINI 2017.11.10 1697
240 Special 11/13 (Mon) Prof. Jens Oluf Jensen (Technical University of Denmark) ADMINI 2017.11.10 792
239 Regular 11/14 (Tue) Prof. Jae-Byum Chang (Sungkyunkwan Univ) ADMINI 2017.11.10 759
238 Regular 11/7 (Tue) Prof. Su-Mi Hur (Chonnam National University) ADMINI 2017.11.05 612
237 Regular 10/31 (Tue) Director Jang Sae Young (Samsung Electronics) ADMINI 2017.10.26 621
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