Liquids, Glasses and Crystals
ORAL · Y02 · ID: 48439
Presentations
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Liquid-Liquid Criticality from First Principles in a Flexible Model of Water
ORAL
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Publication: A manuscript derived from these results is expected to be submitted in November.
Presenters
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John Weis
Princeton University
Authors
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John Weis
Princeton University
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Athanassios Panagiotopoulos
Princeton University
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Francesco Sciortino
Sapienza University of Rome
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Pablo G Debenedetti
Princeton University
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Hydrodynamics and Mesoscopic Liquid Dynamics
ORAL
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Presenters
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Zhiqiang Shen
Oak Ridge National Lab
Authors
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Yangyang Wang
Oak Ridge National Lab, Oak Ridge National Laboratory
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Zhiqiang Shen
Oak Ridge National Lab
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Jan-Michael Y Carrillo
Oak Ridge National Lab, Nanomaterials Theory Institute, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United States
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Bobby G Sumpter
Oak Ridge National Lab, Oak Ridge National Laboratory
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Liquid-liquid Phase Transition in Supercooled H<sub>2</sub>O and D<sub>2</sub>O: A Path-Integral Computer Simulation Study
ORAL
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Publication: Ali Eltareb, Gustavo E. Lopez, Nicolas Giovambattista. (2021). Liquid-liquid Phase Transition in Supercooled H2O and D2O: A Path-Integral Computer Simulation Study. Manuscript submitted for publication.
Presenters
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Ali H Eltareb
The Graduate Center, City University of
Authors
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Ali H Eltareb
The Graduate Center, City University of
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Understanding the fragile-to-strong transition in silica from microscopic dynamics
ORAL
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Publication: Zheng Yu, Ajay Annamareddy, Dane Morgan, Bu Wang, Understanding the fragile-to-strong transition in silica from microscopic dynamics, in preparation
Presenters
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Zheng Yu
University of Wisconsin-Madison
Authors
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Zheng Yu
University of Wisconsin-Madison
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Ajay Annamareddy
University of Wisconsin-Madison
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Dane Morgan
University of Wisconsin-Madison, University of Wisconsin - Madison
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Bu Wang
University of Wisconsin-Madison
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Chirality transfer induced in a lead-halide perovskite cluster through sruface chemistry modification
ORAL
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Publication: A. Forde, D. Ghosh, D. Kilin, A.C. Evans, S. Tretiak, and A.J. Neukirch, "Induced Chirality in Halide Perovskite Clusters through Surface Chemistry" (under review at ACS Nano Letters).
Presenters
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Amanda J Neukirch
Los Alamos National Laboratory
Authors
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Amanda J Neukirch
Los Alamos National Laboratory
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Aaron A Forde
Los Alamos National Laboratory
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Dibyajyoti Ghosh
Los Alamos National Laboratory
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Amanda C Evans
Los Alamos National Laboratory
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Sergei Tretiak
Los Alamos Natl Lab, Los Alamos National Laboratory
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The effect of CdSe nanoparticles on the optical properties of Pr<sup>3+</sup> ions in bismuth boro-tellurite glasses
ORAL
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Publication: Optical Properties of Praseodymium (Pr3+) doped bismuth boro-tellurite glasses containing CdSe nanoparticles:<br>Saisudha B. Mallur, P. K. Babu, Materials Research Bulletin (submitted)
Presenters
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P. K. K Babu
Western Illinois University
Authors
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P. K. K Babu
Western Illinois University
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Saisudha B Mallur
Western Illinois University
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Nanoscale Characterization of Energetic Core-Shell Carbon-coated Aluminum Nanoparticles Produced via Atmospheric Plasma Surface Treatment
ORAL
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Publication: C.-C. Wu, J. Wen, S. D. Walck, R. A. Pesce-Rodriguez, I. Arslan, Advanced nanoscale characterization of aluminum nanoparticles with modified surface morphology via atmospheric helium and carbon monoxide plasmas, J. Appl. Phys. 129, 063302 (2021).
Presenters
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Dinesh Thapa
Oak Ridge Associated Universities
Authors
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Dinesh Thapa
Oak Ridge Associated Universities
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Lily Giri
Bennet Aerospace Inc.
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Rose A Pesce-Rodriguez
US Army Research Laboratory
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Scott D Walck
Survice Engineering Co., Survice Engineering
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Benjamin Evangelisti
The Pennsylvania State University
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Chi-Chin Wu
US Army Research Lab, US Army Research Lab Aberdeen
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How Quantum are Titan's Minerals? Exploring Structure, Dynamics, and Nuclear Quantum Effects in Organic Co-Crystals.
ORAL
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Presenters
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Atul C Thakur
Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey
Authors
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Atul C Thakur
Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey
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Richard C Remsing
Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey
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Real-space Dynamics in Aqueous Salt Solution
ORAL
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Presenters
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Yuya Shinohara
Oak Ridge National Lab
Authors
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Yuya Shinohara
Oak Ridge National Lab
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Ray Matsumoto
Vanderbilt University
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Matthew W Thompson
Vanderbilt University
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Wojciech Dmowski
University of Tennessee, Knoxville
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Chae Woo Ryu
University of Tennessee, Knoxville
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Daisuke Ishikawa
JASRI
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Alfred Q Baron
RIKEN SPring-8 Center
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Peter T Cummings
Vanderbilt Univ
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Takeshi Egami
University of Tennessee, Department of Materials Science and Engineering, The University of Tennessee
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Takuya Iwashita
Oita University
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Structure property relations in (As<sub>2</sub>Se<sub>3</sub>)<sub>x</sub>(GeTe<sub>4</sub>)<sub>100-x</sub> glasses
ORAL
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Publication: Role of As2Se3 in the network connectivity of GeTe4 glasses
Presenters
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Shweta Chahal
Indian Institute of Science Bangalore
Authors
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Shweta Chahal
Indian Institute of Science Bangalore
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Dielectric Profile and Electromelting of a Monolayer of Water Confined in Graphene Slit Pore
ORAL
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Publication: Majumdar, J., Moid, M., Dasgupta, C., & Maiti, P. K. (2021). Dielectric Profile and Electromelting of a Monolayer of Water Confined in Graphene Slit Pore. The Journal of Physical Chemistry B.
Presenters
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JEET MAJUMDAR
Indian Institute of Science, Bangalore
Authors
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JEET MAJUMDAR
Indian Institute of Science, Bangalore
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Mohd Moid
Indian Institute of Science, Bangalore
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Chandan Dasgupta
Indian Institute of Science Bangalore, Indian Institute of Science, Bangalore 560012, India
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Prabal K Maiti
Indian Institute of Science, Bangalore, Indian Institute of Science, Bangalore, India, Indian Institute of Science, Bangalore 560012, India, Indian Instiute of Science
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Solvation free energies of molecules and ions: a first principles study
ORAL
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Presenters
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Junting Yu
The Hong Kong University of Science and Technology
Authors
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Junting Yu
The Hong Kong University of Science and Technology
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Ding Pan
Hong Kong University of Science and Technology, The Hong Kong University of Science and Technology
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Crystal nucleation and liquid-liquid transition in deeply supercooled silicon
ORAL
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Publication: https://arxiv.org/pdf/2108.13749.pdf
Presenters
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Yagyik Goswami
JNCASR
Authors
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Srikanth Sastry
Jawaharlal Nehru Centre for Advanced Sci
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Yagyik Goswami
JNCASR
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Vishwas V. Vasisht
IIT Palakkad, Indian Institute of Technology
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Pablo G Debenedetti
Princeton University
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Daan Frenkel
University of Cambridge, Cambridge University
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