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Interfaces and grain boundaries of lamellar phases

Villain-Guillot, S; Netz, Roland R; Andelman, David; … - In: Physica A: Statistical Mechanics and its Applications 249 (1998) 1, pp. 285-292

Interfaces between lamellar and disordered phases, and grain boundaries within lamellar phases, are investigated …

Persistent link: https://www.econbiz.de/10010874335

Fluctuations and instabilities of model amphiphile interfaces

Varea, C.; Robledo, A. - In: Physica A: Statistical Mechanics and its Applications 290 (2001) 3, pp. 360-378

We study the stability of planar, cylindrical and spherical interfaces with respect to shape and width fluctuations for …

Persistent link: https://www.econbiz.de/10010874547

Density fluctuations and correlations of confined fluids

Varea, C.; Robledo, A. - In: Physica A: Statistical Mechanics and its Applications 268 (1999) 3, pp. 391-411

The density fluctuations about the equilibrium structure of fluids confined by parallel planar walls are analyzed for … identify the fluctuations close to the walls and in the middle of the slab and discuss their effect when the wall separation L … incipient wetting films that become unimpeded interfacial translations for L→∞. Below Tw the fluctuations with lowest eigenvalue …

Persistent link: https://www.econbiz.de/10011060877

Fluctuations and instabilities of curved interfaces

Varea, Carmen; Robledo, Alberto - In: Physica A: Statistical Mechanics and its Applications 255 (1998) 3, pp. 269-284

We study the stability of cylindrical and spherical interfaces with respect to density fluctuations within the square … eigenfunctions represent those fluctuations that are amplified in a process where the equilibrium state is reached. At early times …, in a simple model A kinetics, the eigenfunctions represent the fluctuations that grow or decay with a simple exponential …

Persistent link: https://www.econbiz.de/10010599474

IRRADIATION EFFECTS ON MICROSTRUCTURE AND TENSILE BEHAVIOR OF POLYCRYSTALLINE NICKEL

GHAURI, I. M.; AFZAL, NAVEED; RAZA, M. AKRAM - In: Surface Review and Letters (SRL) 14 (2007) 06, pp. 1199-1203

The microstructural modifications due to high energy electrons (8–18 MeV) and their correlation with the yielding behavior of polycrystalline nickel have been investigated. The specimens in the form of strips were irradiated at room temperature for 15 min in the energy range 8–18 MeV using...

Persistent link: https://www.econbiz.de/10005080539

The thermoelectric power, the dark electrical resistivity and the grain boundary potential barrier in CdIn2Se4 thin films

Abdel Hady, D.; El-Shazly, A.A.; Soliman, H.S.; … - In: Physica A: Statistical Mechanics and its Applications 226 (1996) 3, pp. 324-329

The thermoelectric power (Seebeck coefficient S) was measured for several preannealed CdIn2Se4 thin films of different thicknesses. The thermoelectric power measurements indicate that the preannealed CdIn2Se4 thin films are n-type semiconductors. The thermoelectric was utilized to calculate the...

Persistent link: https://www.econbiz.de/10010586807

Ecological Impact of Green Computing Using Graphical Processing Units in Molecular Dynamics Simulations

Marquetti, Izabele; Rodrigues, Jhonatam; Desai, Salil S. - In: International Journal of Green Computing (IJGC) 9 (2018) 1, pp. 35-48

Molecular dynamics (MD) models require comprehensive computational power to simulate nanoscale phenomena. Traditionally, central processing unit (CPU) clusters have been the standard method of performing these numerically intensive computations. This article investigates the use of graphical...

Persistent link: https://www.econbiz.de/10012044941

Cutting Speed in Nano-Cutting as MD Modelling Parameter

Markopoulos, Angelos P.; Manolakos, Dimitrios E.; … - In: International Journal of Manufacturing, Materials, and … 6 (2016) 1, pp. 1-13

In order to manufacture parts with dimensions of nanometres, high–technology equipment is required. There is a demand to study nano-metric cutting mechanisms and phenomena appearing in this level. However, experiments are difficult to be realized, so computational methods are employed....

Persistent link: https://www.econbiz.de/10012046618

A Computational Study of the Combustion of Hydrazine with Dinitrogen Tetroxide

Hogoboom, Dane; Han, Yulun; Kilin, Dmitri - In: Journal of Nanotoxicology and Nanomedicine (JNN) 2 (2017) 2, pp. 12-30

In this article, density functional theory (DFT) based on ab initio molecular dynamics (AIMD) is used to study the combustion reaction of a specific rocket fuel, hydrazine (N2H4), accomplished by using dinitrogen tetroxide (N2O4) as the oxidant. The atomic model consists of 1:1 ratio of N2H4 and...

Persistent link: https://www.econbiz.de/10012049194

Molecular dynamics study of an electro-kinetic fluid transport in a charged nanochannel based on the role of the stern layer

Rezaei, M.; Azimian, A.R.; Toghraie, D. - In: Physica A: Statistical Mechanics and its Applications 426 (2015) C, pp. 25-34

Electro-osmotic flow of an aqueous solution of NaCl has been studied using the molecular dynamics simulation. The main objective of this work is to investigate the effects of the electric field and temperature on the flow properties considering the role of the stern layer. By increasing any of...

Persistent link: https://www.econbiz.de/10011209726