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Symposium CM1 : Emergent Material Properties and Phase Transitions Under Pressure

2017-04-18   Show All Abstracts

Symposium Organizers

Yue Chen, University of Hong Kong
Thomas Hammerschmidt, Ruhr-Universität Bochum
Alexey Kolmogorov, Binghamton University
Kuo Li, Center for High Pressure Science and Technology Advanced Research
Jung-Fu Lin, The University of Texas at Austin
CM1.1: Superconductivity Under Pressure
Session Chairs
Yue Chen
Jung-Fu Lin
Tuesday AM, April 18, 2017
PCC North, 100 Level, Room 125 A

10:30 AM - *CM1.1.01
Superconductivity in Topological Compounds Tuned via Pressure

Changqing Jin 1
1 , Institute of Physics, Chinese Academy of Sciences, Beijing China

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11:00 AM - CM1.1.02
Superconductivity and Unexpected Chemistry of Germanium Hydrides under Pressure

M. Mahdi Davari Esfahani 1 2 , Artem Oganov 1 2 , Hayiang Niu 1 2 , Jin Zhang 1 2
1 Department of Geosciences, State University of New York, Stony Brook, Stony Brook, New York, United States, 2 Institute for Advanced Computational Science, State University of New York, Stony Brook, Stony Brook, New York, United States

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11:15 AM -
OPEN DISCUSSION

11:30 AM - CM1.1.04
Superconductivity and Hybrid Soft Modes in 1T-TiSe2

Frank Weber 1 , Stephan Rosenkranz 2 , Roland Hott 1 , Rolf Heid 1 , Diego Zocco 1 , Michael Maschek 1 , Said Ayman H. 3 , Ahmet Alatas 3 , Goran Karapetrov 4 , Shan Zhu 5 , Japser van Wezel 5
1 Institute for Solid State Physics, Karlsruhe Institute of Technology, Karlsruhe Germany, 2 Materials Science Division, Argonne National Laboratory, Argonne, Illinois, United States, 3 Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois, United States, 4 Department of Physics, Drexel University, Philadelphia, Pennsylvania, United States, 5 Institute for Theoretical Physics, University of Amsterdam, Amsterdam Netherlands

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11:45 AM - CM1.1.05
A Combined Theoretical and Experimental Study on the High-Pressure Phases in the Sn-Se System

Hulei Yu 1 , Wenxin Lao 1 , Lijuan Wang 2 , Kuo Li 2 , Yue Chen 1
1 , The University of Hong Kong, Hong Kong Hong Kong, 2 , Center for High Pressure Science and Technology Advanced Research, Beijing China

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CM1.2: Superhard Materials and Mechanical Behaviors
Session Chairs
Alexey Kolmogorov
Kuo Li
Tuesday PM, April 18, 2017
PCC North, 100 Level, Room 125 A

2:00 PM - *CM1.2.01
Novel Superhard Materials in Light Element B-C-N-O System

Duanwei He 1
1 , Sichuan University, Chengdu China

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2:30 PM - *CM1.2.05
A Statistical Learning Model for Elastic Moduli of Inorganic Compounds—Application to Discovery of New Superhard Materials

Maarten de Jong 1 3 , Randy Notestine 4 , Ji Wei Yoon 1 , Anthony Gamst 4 , Mark Asta 1 2
1 Materials Science and Engineering, University of California, Berkeley, Berkeley, California, United States, 3 , Space Exploration Technologies, Hawthorne, California, United States, 4 Computational and Applied Statistics Laboratory, San Diego Supercomputer Center, University of California, San Diego, La Jolla, California, United States, 2 Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California, United States

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3:00 PM -
BREAK

3:30 PM - CM1.2.06
Combined Experimental and First Principles Dft Study of the Equation of State and Vibrational Properties of Bef2 at 300k

Narges Masoumi 1 , George Wolf 1 , Andrew Chizmeshya 1
1 School of Molecular Sciences, Arizona State University, Tempe, Arizona, United States

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3:45 PM - CM1.2.07
Densification and Shear Mechanisms in the Plastic Deformation of Silcate Glasses

Shefford Baker 1 , Nicole Wiles 1 , Lisa Lamberson 1
1 , Cornell University, Ithaca, New York, United States

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4:00 PM - *CM1.2.08
Giant Pressure Effect on Magnetism in Cubic Perovskite Sr1-xBaxCoO3 with Competing Magnetic Orders

Shintaro Ishiwata 1 2
1 Department of Applied Physics, University of Tokyo, Tokyo Japan, 2 , JST-PRESTO, Kawaguchi, Saitama Japan

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2017-04-19   Show All Abstracts

Symposium Organizers

Yue Chen, University of Hong Kong
Thomas Hammerschmidt, Ruhr-Universität Bochum
Alexey Kolmogorov, Binghamton University
Kuo Li, Center for High Pressure Science and Technology Advanced Research
Jung-Fu Lin, The University of Texas at Austin
CM1.3: Layered Materials and Method Developments
Session Chairs
Yue Chen
Jung-Fu Lin
Wednesday AM, April 19, 2017
PCC North, 100 Level, Room 125 A

8:30 AM - *CM1.3.01
Giant Tunability of Thermal Conductivity in Multilayer MoS2 with Pressure

Yaguo Wang 1 , Xianghai Meng 1 , Tribhuwan Pandey 2 , Abhishek Singh 2 , Jung-Fu Lin 1
1 , The University of Texas at Austin, Austin, Texas, United States, 2 Materials Research Centre, Indian Institute of Science, Bangalore India

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9:00 AM - CM1.3.02
Pressure and Composition Tuning of Optical Band Gap in Monolayer Transition Metal Dichalcogenides

Joonseok Kim 1 , Rafia Ahmad 2 , Tribhuwan Pandey 2 , Amritesh Rai 1 , Simin Feng 3 , Jing Yang 1 , Mauricio Terrones 3 , Sanjay Banerjee 1 , Abhishek Singh 2 , Deji Akinwande 1 , Jung-Fu Lin 1
1 , The University of Texas at Austin, Austin, Texas, United States, 2 , Indian Institute of Science, Bangalore India, 3 , The Pennsylvania State University, University Park, Pennsylvania, United States

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9:15 AM - CM1.3.03
Atomistic Visualization of Layer-Tunnel Transition Pathways in MnO2

Yifei Yuan 1 2 , Bryan Byles 3 , Jun Lu 4 , Khalil Amine 4 , Ekaterina Pomerantseva 3 , Reza Shahbazian-Yassar 1
1 , University of Illinois at Chicago, Chicago, Illinois, United States, 2 , Argonne National Laboratory, Argonne, Illinois, United States, 3 , Drexel University, Philadelphia, Pennsylvania, United States, 4 , Argonne National Laboratory, Argonne, Illinois, United States

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9:30 AM - *CM1.3.04
High Strain Coupled Opto-Electro-Mechanics in Layered Materials

Joonseok Kim 1 , Jung-Fu Lin 1 , Deji Akinwande 1
1 , The University of Texas at Austin, Austin, Texas, United States

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10:00 AM -
BREAK

10:30 AM - *CM1.3.05
Strain-Induced Electronic Phase Changes in Layered Materials

Abhishek Singh 1
1 , Indian Institute of Science, Bangalore India

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11:00 AM -
OPEN DISCUSSION

11:15 AM - CM1.3.07
A Transition in the Nature of the Electron Transport that Occurs within Wurtzite Zinc Oxide in Response to the Application of Stress And the Concomitant Potential for Electron Device Applications

Poppy Siddiqua 1 , Michael Shur 2 , Stephen O'Leary 1
1 School of Engineering, The University of British Columbia, Kelowna, British Columbia, Canada, 2 ECSE, Rensselaer Polytechnic Institute, Troy, New York, United States

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11:30 AM - CM1.3.08
Liquid-Liquid Transition in Ti

Byeongchan Lee 1 , Geun Woo Lee 2
1 , Kyung Hee University, Yongin Korea (the Republic of), 2 , Korea Research Institute of Standards and Science, Daejon Korea (the Republic of)

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11:45 AM - CM1.3.09
Quasi-Phase Transition of Single File Water Molecules

Xuedan Ma 1 , Sofie Cambre 2 , Wim Wenseleers 2 , Stephen Doorn 3 , Han Htoon 3
1 , Center for Nanoscale Materials, Argonne National Laboratory, Lemont, Illinois, United States, 2 Experimental Condensed Matter Physics Laboratory, University of Antwerp, Antwerp Belgium, 3 Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico, United States

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CM1.4: Phase Transition Under Pressure
Session Chairs
Alexey Kolmogorov
Kuo Li
Wednesday PM, April 19, 2017
PCC North, 100 Level, Room 125 A

1:30 PM - *CM1.4.01
Single Crystal Structural Studies at Multimegabar Pressures and High Temperatures

Leonid Dubrovinsky 1 , Natalia Dubrovinskaia 1
1 , University of Bayreuth, Bayreuth Germany

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2:00 PM - CM1.4.02
Strain Engineered Pyrochlore at High Pressure

Dylan Rittman 1 , Katlyn Turner 1 , Sulgiye Park 1 , Antonio Fuentes 2 , Changyong Park 3 , Rodney Ewing 1 , Wendy Mao 1
1 , Stanford University, Stanford, California, United States, 2 , Cinvestav Unidad Saltillo, Saltillo Mexico, 3 , Carnegie Institution of Washington, Argonne, Illinois, United States

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2:15 PM - CM1.4.03
Jahn-Teller Phase Transition of Icosahedral Units Under Pressure

Seyed Hossein Nasrollahi 1 , Dimitri Vvedensky 1
1 , Imperial College London, London United Kingdom

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2:30 PM -
BREAK

3:30 PM - CM1.4.05
Graphenoid Carbons—Systematic Search, Properties and Perspectives

Stefano Leoni 1 , Samuel Jobbins 1
1 , Cardiff University, Cardiff United Kingdom

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3:45 PM - CM1.4.06
Aliphatic Layered System with Emergent Chain Melting: Phase Transition Induced by Material Segmentation

Zichao Ye 1 , Leslie Allen 1
1 , University of Illinois at Urbana-Champaign, Urbana, Illinois, United States

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4:00 PM - *CM1.4.07
Adventures with 5d Orbitals at High Pressure

Daniel Haskel 1
1 X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois, United States

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CM1.5: Poster Session
Session Chairs
Alexey Kolmogorov
Kuo Li
Wednesday PM, April 19, 2017
Sheraton, Third Level, Phoenix Ballroom

8:00 PM - CM1.5.01
Micro-Strain Dominant Solid-Solid Phase Transition under High Pressure

Qiwei Hu 1 , Li Lei 1 , Duanwei He 1
1 , Sichuan University, Sichuan China

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8:00 PM - CM1.5.02
Spectroscopic Studies of the Effect of High Pressure on Poly[(R)-3-Hydroxybutyrate-Co-(R)-3-Hydoxy-Hexanoate] (PHBHx) Random Copolymers Using a Diamond Anvil Cell

Chinmay Pawar 1 , Brian Sobieski 1 , Changhao Liu 1 , Liang Gong 1 , Isao Noda 1 , Bruce Chase 1 , John Rabolt 1
1 Materials Science and Engineering, University of Delaware, Newark, Delaware, United States

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8:00 PM - CM1.5.03
Orbital Ordering in Certain Vanadium Spinel Oxides—First-Principle Electronic and Phonon Based Approach

Dibyendu Dey 1 , T. Maitra 2 , A. Taraphder 1 3
1 Department of Physics, Indian Institute of Technology, Kharagpur, Kharagpur, West Bengal, India, 2 Department of Physics, Indian Institute of Technology, Roorkee, Roorkee, Uttarakhand, India, 3 Centre for Theoretical Studies, Indian Institute of Technology, Kharagpur, Kharagpur, West Bengal, India

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2017-04-20   Show All Abstracts

Symposium Organizers

Yue Chen, University of Hong Kong
Thomas Hammerschmidt, Ruhr-Universität Bochum
Alexey Kolmogorov, Binghamton University
Kuo Li, Center for High Pressure Science and Technology Advanced Research
Jung-Fu Lin, The University of Texas at Austin
CM1.6: Properties of Materials Under Pressure
Session Chairs
Yue Chen
Jung-Fu Lin
Thursday AM, April 20, 2017
PCC North, 100 Level, Room 125 A

8:00 AM - *CM1.6.01
Novel High-Pressure Phenomena Discovered through Crystal Structure Prediction

Artem Oganov 1 2
1 , Skolkovo Institute of Science and Technology, Moscow Russian Federation, 2 , Stony Brook University, Stony Brook, New York, United States

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8:30 AM - CM1.6.02
Magnetism of Transition Metals under High Pressure—Combined DFT and K-XMCD Study

Yaroslav Kvashnin 1 , Raffaella Torchio 2 , Sakura Pascarelli 2
1 , Uppsala University, Uppsala Sweden, 2 , European Synchrotron Radiation Facility (ESRF), Grenoble France

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8:45 AM - CM1.6.03
Enhanced Properties of Organic-Inorganic Halide Perovskites via High Pressure Treatments

Xujie Lu 1 , Yonggang Wang 2 , Konstantinos Stoumpos 3 , Qingyang Hu 4 , Wenge Yang 5 , Hongwu Xu 1 , Mercouri Kanatzidis 3 , Quanxi Jia 1
1 , Los Alamos National Laboratory, Los Alamos, New Mexico, United States, 2 , University of Nevada Las Vegas, Las Vegas, Nevada, United States, 3 , Northwestern University, Evanston, Illinois, United States, 4 , Carnegie Institution of Washington, Washington, District of Columbia, United States, 5 , Center for High Pressure Science and Technology Advanced Research, Shanghai China

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9:00 AM - CM1.6.04
Pressure Induced Polymerization and Enhanced Conductivity of Metal Acetylides

Kuo Li 1 , Haiyan Zheng 1 , Lijuan Wang 1 , Yajie Wang 1 , Xiao Dong 1
1 , Center for High Pressure Science and Technology Advanced Research, Beijing China

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9:15 AM - CM1.6.05
High Pressure for Parameterization of the Proton-Phonon Coupling in Solid Electrolytes

Artur Braun 1 , Qianli Chen 1 2 3
1 , Empa-Swiss Federal Laboratories for Materials Science and Technology, Duebendorf Switzerland, 2 , Shanghai Jiao Tong University, Shanghai China, 3 Physics Department, ETH Zürich, Zürich Switzerland

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9:30 AM - *CM1.6.06
High Pressure Synthesis of Polymorphic Phase of Boron Nitride—2D Wide Bandgap Nature and Superhard Materials

Takashi Taniguchi 1
1 , National Institute for Materials Science, Tsukuba Japan

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10:00 AM -
BREAK

10:30 AM - *CM1.6.07
Nanocrystalline Diamond—Unique Carbon Material for Ultra-High Pressure Generation and Optical Applications

Natalia Dubrovinskaia 1 , Leonid Dubrovinsky 1
1 , University of Bayreuth, Bayreuth Germany

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11:00 AM - CM1.6.08
Order Parameter Aided Efficient Phase Space Exploration under Extreme Conditions

Amit Samanta 1 , Eric Schwegler 1 , Jonathan Belof 1 , Alexander Chernov 1
1 , Lawrence Livermore National Laboratory, Livermore, California, United States

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11:15 AM - CM1.6.09
Molecular Dynamics Studies of the Melting of Copper with Edge and Screw Dislocations at High Pressures

Clarence Matthai 1 , Jessica Rainbow 1
1 , Cardiff University, Cardiff Wales United Kingdom

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11:30 AM - *CM1.6.10
Barochemistry to Multifunctional High Energy Density Solids

Choong-shik Yoo 1
1 , Washington State University, Pullman, Washington, United States

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