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The Journal of Physical Chemistry Letters, ISSN 1948-7185, 01/2015, Volume 6, Issue 1, pp. 38 - 43
Liquid–liquid transitions (LLTs) between amorphous phases of a single (chemically unchanged) liquid were predicted to occur in most molecular liquids but have... 
CRYSTALLIZATION | GLACIAL STATE | MATERIALS SCIENCE, MULTIDISCIPLINARY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | GENERAL NATURE | SUPERCOOLED LIQUIDS | TRIPHENYL PHOSPHITE | PHASE-TRANSITION | SEPARATION | POLYAMORPHISM | WATER
Journal Article
Nature, ISSN 0028-0836, 2014, Volume 510, Issue 7505, pp. 385 - 388
Liquid water's isothermal compressibility(1) and isobaric heat capacity(2), and the magnitude of its thermal expansion coefficient(3), increase sharply on... 
MONTE-CARLO | SUPERCOOLED WATER | GLASS-TRANSITION | ENERGY | WELL-TEMPERED METADYNAMICS | BEHAVIOR | MULTIDISCIPLINARY SCIENCES | DYNAMICS | ICE | SIMULATION | HEAT-CAPACITY | Models, Molecular | Thermodynamics | Temperature | Water - chemistry | Water | Chemical models | Research | Computer simulation | Equilibrium | Phase transitions
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 11/2005, Volume 102, Issue 46, pp. 16558 - 16562
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 5/2015, Volume 112, Issue 19, pp. 5956 - 5961
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2011, Volume 135, Issue 13, pp. 134503 - 134503-10
We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for... 
SUPERCOOLED CONFINED WATER | HEAVY-WATER | MOLECULAR-DYNAMICS | THERMODYNAMIC BEHAVIOR | DENSITY MINIMUM | PHASE-TRANSITION | SILICON | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ICE | GLASSY WATER | CRITICAL-POINT
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2010, Volume 133, Issue 23, pp. 234502 - 234502-8
The Widom line and the liquid-liquid critical point of water in the deeply supercooled region are investigated via computer simulation of the TIP4P/2005 model.... 
SUPERCOOLED CONFINED WATER | MOLECULAR-DYNAMICS | HIGH-PRESSURE | LOW-DENSITY | 2 AMORPHOUS PHASES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | METAL TRANSITION | POTENTIAL FUNCTIONS | ICE | GLASSY WATER | SIMULATIONS
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 12/2012, Volume 137, Issue 21, p. 214505
We use the weighted histogram analysis method [S. Kumar, D. Bouzida, R. H. Swendsen, P. A. Kollman, and J. M. Rosenberg, J. Comput. Chem. 13, 1011 (1992)] to... 
SUPERCOOLED CONFINED WATER | THERMODYNAMIC PROPERTIES | MOLECULAR-DYNAMICS | DENSITY MINIMUM | PHASE-TRANSITION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | 1ST-ORDER TRANSITION | CHEMISTRY, PHYSICAL | HOMOGENEOUS ICE NUCLEATION | CRITICAL-POINT | HEAT-CAPACITY | PHYSICAL LIMIT
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 06/2013, Volume 138, Issue 21, p. 214504
This paper extends our earlier studies of free energy functions of density and crystalline order parameters for models of supercooled water, which allows us to... 
MONTE-CARLO | PRESSURE | MOLECULAR-DYNAMICS | SUPERCOOLED SILICON | BEHAVIOR | PHASE-TRANSITION | CONDENSED PHASES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SYSTEMS | SIMULATION | CRITICAL-POINT
Journal Article
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 03/2016, Volume 138, Issue 8, pp. 2815 - 2822
We report theoretical evidence of a liquid–liquid phase transition (LLPT) in liquid silicon carbide under nanoslit confinement. The LLPT is characterized by... 
PRESSURE | MOLECULAR-DYNAMICS | CARBON | SUPERCOOLED SILICON | NANOTUBES | RAMAN | SIMULATIONS | POTENTIALS | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 12, pp. 8210 - 8217
Polyamorphic substances have the ability to exist in more than one liquid and/or glass states. Examples include water, silicon, and hydrogen. In many of these... 
HYDROGEN | ORDER | SUPERCOOLED SILICON | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | GLASSY WATER | SIMULATIONS | CRITICAL-POINT | Critical point | Computer simulation | Phase transitions | Quantum theory | Crystallization
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 11/2015, Volume 119, Issue 44, pp. 14210 - 14220
After reviewing the protocol-dependent properties of HDA, which thermally anneals to LDA, and the data gap over an unusually large T-range between HDA, LDA,... 
SUPERCOOLED WATER | GLASS-TRANSITION | HEXAGONAL ICE | TEMPERATURE DEPENDENCE | DENSITY AMORPHOUS ICE | 1ST-ORDER TRANSITION | X-RAY | CHEMISTRY, PHYSICAL | THERMAL-CONDUCTIVITY | PRESSURE-INDUCED AMORPHIZATION | HEAT-CAPACITY
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 06/2017, Volume 146, Issue 23, p. 234503
Journal Article