scholarly journals Predicted Effects of Confinement on the Melting Transition in Krypton-Argon Adlayers

2002 ◽  
Vol 1 (1) ◽  
Author(s):  
Karson Bader ◽  
Michael Roth
Keyword(s):  
Molecular Dynamics ◽  
Phase Transitions ◽  
High Temperature ◽  
Liquid Phase ◽  
Computer Simulations ◽  
Melting Transition ◽  
Graphite Sheet ◽  
Solid Phases ◽  
Solid Liquid ◽  
Graphite Sheets

We report the results of (N,ρ,T) Molecular-Dynamics computer simulations of krypton-argon mixtures physisorbed between two graphite sheets. Three novel aspects of the system’s behavior emerge from this study. To begin with, new high-temperature commensurate solid phases for both argon and krypton as a result of confinement are predicted, as well as a family of confinement-induced solid-liquid phase transitions. In addition, we observe that the melting temperature of the system can be adjusted within a given range by the graphite sheet spacing. Finally, in the case of argon-krypton mixtures, certain temperatures and sheet spacings result in almost complete impurity extraction.

Computer Simulations Studies of Solid–Liquid Phase Transitions in Solid Water Nano Particles

2008 ◽  
Vol 5 (9) ◽  
pp. 1914-1922 ◽  
Author(s):  
Andrei V. Egorov ◽  
Elena N. Brodskaya ◽  
Aatto Laaksonen
Keyword(s):  
Phase Transitions ◽  
Liquid Phase ◽  
Computer Simulations ◽  
Nano Particles ◽  
Solid Water ◽  
Solid Liquid

From the bulk to clusters: Solid-liquid phase transitions and precursor effects

1990 ◽  
Vol 24-26 (1) ◽  
pp. 283-342 ◽  
Author(s):  
R. Kofman ◽  
P. Cheyssac ◽  
R. Garrigos
Keyword(s):  
Phase Transitions ◽  
Liquid Phase ◽  
Precursor Effects ◽  
Solid Liquid

Molecular dynamics simulations of solid–liquid phase transition in small water aggregates

2006 ◽  
Vol 36 (1-2) ◽  
pp. 166-170 ◽  
Author(s):  
Andrei V. Egorov ◽  
Elena N. Brodskaya ◽  
Aatto Laaksonen
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Liquid Phase ◽  
Molecular Dynamics Simulations ◽  
Liquid Phase Transition ◽  
Small Water ◽  
Dynamics Simulations ◽  
Solid Liquid

Solid-liquid phase transitions in CdTe crystals under pulsed laser irradiation

2003 ◽  
Vol 83 (18) ◽  
pp. 3704-3706 ◽  
Author(s):  
V. A. Gnatyuk ◽  
T. Aoki ◽  
O. S. Gorodnychenko ◽  
Y. Hatanaka
Keyword(s):  
Phase Transitions ◽  
Liquid Phase ◽  
Laser Irradiation ◽  
Pulsed Laser ◽  
Solid Liquid ◽  
Pulsed Laser Irradiation

Studying on High Temperature Thermoplastic of High Carbon Steel

2014 ◽  
Vol 809-810 ◽  
pp. 384-389
Author(s):  
Lang He ◽  
Yu Tang
Keyword(s):  
Electron Microscope ◽  
High Temperature ◽  
Melting Point ◽  
Liquid Phase ◽  
Energy Dispersive Spectrometer ◽  
High Carbon Steel ◽  
Optical Microscope ◽  
High Carbon ◽  
Solid Liquid ◽  
Scanning Electron

High temperature thermoplastic of 50Mn2V casting slab was tested by Gleeble-1500 thermal simulator machine. The morphology, microstructure and composition of fracture surfacewere observed and analyzed by optical microscope (OM), scanning electron microscope (SEM) and energy dispersive spectrometer (EDS).The results show that, there are two brittle temperature zones of 50Mn2V casting slab at the temperature of 600~950°C and 1300~1465°C, respectively, The section shrinkaging rate is less than 60%. The fracture mode changes from mixed one dominated by intergranular to toughness transgranular one with the increase of temperature at the range of 600~1250°C. However, the fracture is along with the solid-liquid phase at the range of 1300°C~ melting point.

COMPARISON BETWEEN MOLECULAR DYNAMICS AND MONTE CARLO DESCRIPTIONS OF SOLID–LIQUID PHASE-TRANSITION OF LENNARD–JONES FLUIDS

2010 ◽  
Vol 21 (03) ◽  
pp. 349-363 ◽  
Author(s):  
A. S. MARTINS ◽  
C. X. S. SEIXAS ◽  
L. B. dos SANTOS ◽  
P. R. RIOS
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Monte Carlo ◽  
Liquid Phase ◽  
Structural Evolution ◽  
Liquid Phase Transition ◽  
Monte Carlo Techniques ◽  
Lennard Jones ◽  
Liquid Transition ◽  
Solid Liquid

Molecular dynamics and Monte Carlo techniques are employed for the study of Lennard–Jones fluids near the solid–liquid transition region. Systematic comparisons between the predictions of both techniques are discussed, with particular emphasis on the structural evolution and location of the transition (melting) temperature Tm.

Mesoscopic Models of Liquid/Solid Phase Transitions

1998 ◽  
Vol 09 (08) ◽  
pp. 1405-1415 ◽  
Author(s):  
G. de Fabritiis ◽  
A. Mancini ◽  
D. Mansutti ◽  
S. Succi
Keyword(s):  
Phase Transitions ◽  
Liquid Phase ◽  
Mushy Zone ◽  
Lattice Boltzmann ◽  
Solid Phase ◽  
Chaotic Motions ◽  
Computational Costs ◽  
Mesoscopic Models ◽  
Lattice Boltzmann Models ◽  
Solid Liquid

A generalization of mesoscopic Lattice-Boltzmann models aimed at describing flows with solid/liquid phase transitions is presented. It exhibits lower computational costs with respect to the numerical schemes resulting from differential models. Moreover it is suitable to describe chaotic motions in the mushy zone.

scholarly journals On a phase field model for solid-liquid phase transitions

2012 ◽  
Vol 32 (6) ◽  
pp. 1997-2025 ◽  
Author(s):  
Sylvie Benzoni-Gavage ◽  
◽  
Laurent Chupin ◽  
Didier Jamet ◽  
Julien Vovelle ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Liquid Phase ◽  
Phase Field ◽  
Field Model ◽  
Phase Field Model ◽  
Solid Liquid

scholarly journals The Simulation of the Preparation of the Ingot With Liquid Core

2021 ◽  
Author(s):  
yongqiang wu ◽  
Zhi-ren Sun ◽  
Kaikun Wang
Keyword(s):  
Finite Element ◽  
High Temperature ◽  
Liquid Phase ◽  
Solid Phase ◽  
Liquid Core ◽  
Phase Region ◽  
Simulation Results ◽  
Solid Liquid ◽  
Deform 3D ◽  
Ultra High Temperature

Abstract During the preparation of the ingot with liquid core in the early stage, the finite element models of the solidification and the ultra-high temperature demoulding were established in DEFORM-3D. The thermophysical properties of ASSAB 718 with the variations of C, Mn and Cr were calculated in JMatPro®. The material database was imported into DEFORM-3D. Through the analysis of the finite element simulation results, we obtained the influence of three main elements C, Mn and Cr contents on the size of the solid-phase region, the liquid-phase region and the solid-liquid two-phase region in the ingot. We optimized the composition of the material to get a wide solid-liquid phase range. The high carbon, the medium manganese and the high chromium contents were beneficial to form the liquid core. Based on the method of the solidification time, the algorithm was programmed by the python language. We analyzed the influence of the three elements C, Mn, and Cr on the concentration distribution based on the temperature field data, which were obtained by DEFORM-2D after the solidification and the ultra-high temperature demoulding. According to the simulation results, we found that the region prone to negative segregation.

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