Liquid-liquid phase transition in supercooled silicon.
Srikanth Sastry,C. Austen Angell +1 more
TLDR
Detailed and unambiguous simulation evidence is provided that the transition in supercooled liquid silicon, in the Stillinger–Weber potential18, is thermodynamically of first order and indeed occurs between two liquid states, as originally predicted by Aptekar10.Abstract:
Silicon in its liquid and amorphous forms occupies a unique position among amorphous materials. Obviously important in its own right, the amorphous form is structurally close to the group of 4–4, 3–5 and 2–6 amorphous semiconductors that have been found to have interesting pressure-induced semiconductor-to-metal phase transitions1,2. On the other hand, its liquid form has much in common, thermodynamically, with water and other ‘tetrahedral network’ liquids that show density maxima3,4,5,6,7. Proper study of the ‘liquid–amorphous transition’, documented for non-crystalline silicon by both experimental and computer simulation studies8,9,10,11,12,13,14,15,16,17, may therefore also shed light on phase behaviour in these related materials. Here, we provide detailed and unambiguous simulation evidence that the transition in supercooled liquid silicon, in the Stillinger–Weber potential18, is thermodynamically of first order and indeed occurs between two liquid states, as originally predicted by Aptekar10. In addition we present evidence to support the relevance of spinodal divergences near such a transition, and the prediction3 that the transition marks a change in the liquid dynamic character from that of a fragile liquid to that of a strong liquid.read more
Citations
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Fast parallel algorithms for short-range molecular dynamics
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Relation between the Widom line and the dynamic crossover in systems with a liquid–liquid phase transition
Limei Xu,Pradeep Kumar,Sergey V. Buldyrev,Shawhorng Chen,Peter H. Poole,Francesco Sciortino,H. E. Stanley +6 more
TL;DR: It is argued that this connection between C(P)(max) and dynamic crossover is not limited to the case of water, a hydrogen bond network-forming liquid, but is a more general feature of crossing the Widom line.
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Water: A Tale of Two Liquids
Paola Gallo,Katrin Amann-Winkel,Charles Angell,Mikhail A. Anisimov,Frédéric Caupin,Charusita Chakravarty,Erik Lascaris,Thomas Loerting,Athanassios Z. Panagiotopoulos,John Russo,Jonas A. Sellberg,Harry Eugene Stanley,Hajime Tanaka,Carlos Vega,Limei Xu,Lars G. M. Pettersson +15 more
TL;DR: The behavior of water in the regime from ambient conditions to the deeply supercooled region is described and some of the possible experimental lines of research that are essential to complete a global picture that still needs to be completed.
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Insights into phases of liquid water from study of its unusual glass-forming properties.
TL;DR: Thermodynamic reasoning and direct observations on noncrystallizing nanoconfined water indicate that the glass transition in ambient-pressure water is qualitatively distinct from that found in the usual molecular liquids.
References
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Journal ArticleDOI
Fast parallel algorithms for short-range molecular dynamics
TL;DR: In this article, three parallel algorithms for classical molecular dynamics are presented, which can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors.
Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
Computer simulation of local order in condensed phases of silicon
TL;DR: A model potential-energy function comprising both two- and three-atom contributions is proposed to describe interactions in solid and liquid forms of Si, suggesting a temperature-independent inherent structure underlies the liquid phase, just as for ``simple'' liquids with only pair interactions.
Journal ArticleDOI
Relaxation in glassforming liquids and amorphous solids
TL;DR: The field of viscous liquid and glassy solid dynamics is reviewed by a process of posing the key questions that need to be answered, and then providing the best answers available to the authors and their advisors at this time as mentioned in this paper.
Journal ArticleDOI
The relationship between liquid, supercooled and glassy water
Osamu Mishima,H. Eugene Stanley +1 more
TL;DR: This article showed that water can exist in two distinct "glassy" forms, low and high density amorphous ice, which may provide the key to understanding some of the puzzling characteristics of cold and supercooled water.
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