scholarly journals Gas-liquid phase coexistence in quasi-two-dimensional Stockmayer fluids: A molecular dynamics study

2011 ◽  
Vol 134 (1) ◽  
pp. 014901 ◽  
Author(s):  
Wen-Ze Ouyang ◽  
Sheng-Hua Xu ◽  
Zhi-Wei Sun
Keyword(s):  
Molecular Dynamics ◽  
Liquid Phase ◽  
Phase Coexistence ◽  
Two Dimensional

Vapor-liquid phase coexistence and transport properties of two-dimensional oligomers

2012 ◽  
Vol 137 (8) ◽  
pp. 084701 ◽  
Author(s):  
Tarak K. Patra ◽  
Abhiram Hens ◽  
Jayant K. Singh
Keyword(s):  
Liquid Phase ◽  
Transport Properties ◽  
Phase Coexistence ◽  
Two Dimensional ◽  
Vapor Liquid

scholarly journals Influence of a Standing Wave Flow-Field on the Dynamics of a Spray Diffusion Flame

Fluids ◽  
2021 ◽  
Vol 6 (1) ◽  
pp. 27
Author(s):  
J. Barry Greenberg ◽  
David Katoshevski
Keyword(s):  
Liquid Phase ◽  
Flow Field ◽  
Standing Wave ◽  
Diffusion Flame ◽  
Stokes Number ◽  
Flame Height ◽  
Wave Flow ◽  
Two Dimensional ◽  
Governing Equations ◽  
First Time

A theoretical investigation of the influence of a standing wave flow-field on the dynamics of a laminar two-dimensional spray diffusion flame is presented for the first time. The mathematical analysis permits mild slip between the droplets and their host surroundings. For the liquid phase, the use of a small Stokes number as the perturbation parameater enables a solution of the governing equations to be developed. Influence of the standing wave flow-field on droplet grouping is described by a specially constructed modification of the vaporization Damkohler number. Instantaneous flame front shapes are found via a solution for the usual Schwab–Zeldovitch parameter. Numerical results obtained from the analytical solution uncover the strong bearing that droplet grouping, induced by the standing wave flow-field, can have on flame height, shape, and type (over- or under-ventilated) and on the existence of multiple flame fronts.

scholarly journals Does liquid–liquid phase separation drive peptide folding?

2021 ◽  
Author(s):  
Dean N. Edun ◽  
Meredith R. Flanagan ◽  
Arnaldo L. Serrano
Keyword(s):  
Infrared Spectroscopy ◽  
Phase Separation ◽  
Liquid Phase ◽  
Model Membrane ◽  
Peptide Folding ◽  
Two Dimensional ◽  
Intrinsically Disordered ◽  
Intrinsically Disordered Peptide ◽  
Two Dimensional Infrared Spectroscopy ◽  
Liquid Liquid Phase Separation

Two-dimensional infrared spectroscopy reveals folding of an intrinsically disordered peptide when sequestered into a model “membrane-less” organelle.

Molecular dynamics study of two dimensional and adsorbed microclusters

1980 ◽  
Vol 72 (8) ◽  
pp. 4562-4568 ◽  
Author(s):  
Mariana Weissmann ◽  
Norah V. Cohan
Keyword(s):  
Molecular Dynamics ◽  
Two Dimensional

Molecular Dynamics Simulations of Shock-Defect Interactions in Two-Dimensional Nonreactive Crystals

1992 ◽  
Vol 296 ◽  
Author(s):  
Robert S. Sinkovits ◽  
Lee Phillips ◽  
Elaine S. Oran ◽  
Jay P. Boris
Keyword(s):  
Molecular Dynamics ◽  
Hexagonal Lattice ◽  
Square Lattice ◽  
Two Dimensional ◽  
Connection Machine ◽  
Defect Sites ◽  
Principal Axes ◽  
Shock Motion ◽  
Defect Interactions ◽  
Dynamics Simulations

AbstractThe interactions of shocks with defects in two-dimensional square and hexagonal lattices of particles interacting through Lennard-Jones potentials are studied using molecular dynamics. In perfect lattices at zero temperature, shocks directed along one of the principal axes propagate through the crystal causing no permanent disruption. Vacancies, interstitials, and to a lesser degree, massive defects are all effective at converting directed shock motion into thermalized two-dimensional motion. Measures of lattice disruption quantitatively describe the effects of the different defects. The square lattice is unstable at nonzero temperatures, as shown by its tendency upon impact to reorganize into the lower-energy hexagonal state. This transition also occurs in the disordered region associated with the shock-defect interaction. The hexagonal lattice can be made arbitrarily stable even for shock-vacancy interactions through appropriate choice of potential parameters. In reactive crystals, these defect sites may be responsible for the onset of detonation. All calculations are performed using a program optimized for the massively parallel Connection Machine.

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