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Physical Chemistry Chemical Physics, ISSN 1463-9076, 11/2019, Volume 21, Issue 46, pp. 25558 - 25568
Coarse-grained, two-body fluid–solid potentials provide a simple way to describe the interaction between a fluid molecule and a solid in adsorption theories,... 
Journal Article
ISSN 1463-9076, 11/2019, Volume 21, Issue 46, pp. 25558 - 25568
Coarse-grained, two-body fluid-solid potentials provide a simple way to describe the interaction between a fluid molecule and a solid in adsorption theories,... 
Journal Article
Industrial & Engineering Chemistry Research, ISSN 0888-5885, 12/2012, Volume 51, Issue 48, pp. 15796 - 15798
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 04/2018, Volume 148, Issue 16, p. 164704
We present a new methodology to estimate the contact angles of sessile drops from molecular simulations by using the Gaussian convolution method of Willard and... 
WETTING TRANSITION | NANODROPLETS | LENNARD-JONES LIQUIDS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | INTERFACES | CHEMISTRY, PHYSICAL | TENSION | GRAPHITE | TEXTURED SURFACES | POTENTIALS | SMOOTHED PARTICLE HYDRODYNAMICS | WATER
Journal Article
Applied Physics Letters, ISSN 0003-6951, 11/2015, Volume 107, Issue 19
This paper presents strain-effect transistors (SETs) based on flexible III-nitride high-electron-mobility transistors (HEMTs) through theoretical calculations.... 
Semiconductor materials | Semiconductor devices | Gallium nitrides | Substrates | Thin films | Tensile strain | Compressive properties | Bending machines | Threshold voltage | High electron mobility transistors | Transistors | Flexible structures | Transconductance | Heterostructures | Electrons | Electron gas
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 06/2015, Volume 119, Issue 22, pp. 12365 - 12377
Current applications of statistical thermodynamic theories for clathrate hydrates do not incorporate the translational and rotational movement of water... 
UNITED-ATOM DESCRIPTION | INITIO INTERMOLECULAR POTENTIALS | LENNARD-JONES | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMICAL-POTENTIALS | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | MONTE-CARLO METHOD | PHASE-EQUILIBRIA | N-ALKANES | TRANSFERABLE POTENTIALS | STRUCTURAL TRANSITIONS | CARBON-DIOXIDE
Journal Article
Fluid Phase Equilibria, ISSN 0378-3812, 08/2014, Volume 376, pp. 193 - 201
Methane and ethane are the simplest hydrocarbon molecules that can form clathrate hydrates. Previous studies have reported methods for calculating the... 
Methane | Phase equilibria | Gas hydrates | Monte Carlo simulations | Ethane | ENERGY | PRESSURES | STABILITY | CHEMICAL-POTENTIALS | CHEMISTRY, PHYSICAL | MODEL | PARAMETERS | ENGINEERING, CHEMICAL | STRUCTURAL TRANSITION | THERMODYNAMICS | GAS | WATER | RESOURCE | Monte Carlo method | Analysis | Hydrates | Monte Carlo methods | Computer simulation | Fluid flow | Mathematical models | Clathrate hydrates
Journal Article
Industrial & Engineering Chemistry Research, ISSN 0888-5885, 07/2012, Volume 51, Issue 27, pp. 9419 - 9426
The van der Waals and Platteuw (vdWP) theory has been successfully used to model the thermodynamics of gas hydrates. However, earlier studies have shown that... 
ENGINEERING, CHEMICAL | NORMAL FLUIDS | LENNARD-JONES | WATER INTERACTIONS | CELL THEORY | DYNAMICS | LANGMUIR CONSTANTS | COMPUTER-SIMULATION | PHASE-EQUILIBRIA | MODEL | POTENTIAL-ENERGY | Monte Carlo methods | Computer simulation | Forming | Constants | Mathematical models | Adjustable | Methane hydrates | Hydrates
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 09/2013, Volume 117, Issue 36, pp. 18549 - 18555
The flexibility of the water lattice in clathrate hydrates and guest–guest interactions has been shown in previous studies to significantly affect the values... 
UNITED-ATOM DESCRIPTION | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | PHASE-EQUILIBRIA | METHANE | TRANSFERABLE POTENTIALS | DYNAMICS | FORCE-FIELD | COMPUTER-SIMULATION | LANGMUIR CONSTANTS | NEXT-GENERATION | WATER
Journal Article
Journal Article
Frontiers in Mechanical Engineering, ISSN 2297-3079, 12/2017, Volume 3
Diamond-based low-work function thermionic electron emitters are in high demand for applications ranging from electron guns and space thrusters to electrical... 
Hydrogen | Diamond films | thermionic emission | diamond | hydrogen | doped diamond | surface modification
Journal Article
Advanced Energy Materials, ISSN 1614-6832, 06/2018, Volume 8, Issue 16, p. 1703247
Journal Article
Optical Materials, ISSN 0925-3467, 07/2017, Volume 69, pp. 230 - 237
Journal Article
Current Opinion in Chemical Engineering, ISSN 2211-3398, 03/2019, Volume 23, pp. 14 - 20
Molecular modeling and simulations have provided valuable insights into our understanding of science of gas hydrates. In this article, we review the role... 
ENGINEERING, CHEMICAL | CH4 HYDRATE | MECHANISM | BIOTECHNOLOGY & APPLIED MICROBIOLOGY | METHANE HYDRATE | CHEMICAL-POTENTIALS | DYNAMICS | SURFACE | SIMULATIONS | ADSORPTION | WATER | INSIGHTS
Journal Article
Journal of Physics D: Applied Physics, ISSN 0022-3727, 01/2017, Volume 50, Issue 3, p. 35102
Highly conductive and transparent films of ultra-thin p-type nickel silicide films have been prepared by RF magnetron sputtering of nickel on silicon... 
p-type conductor | reflectance | nickel silicide | Drude-model | refractive index | ultra-thin film | transparent conductor | THIN-FILMS | CONTACTS | PHYSICS, APPLIED | INDIUM TIN OXIDE | DEPENDENCE | TEMPERATURE | FREQUENCY | REFRACTIVE-INDEX | SURFACE | ABSORPTION | TRANSPARENT
Journal Article
Optical Materials, ISSN 0925-3467, 07/2017, Volume 69, pp. 230 - 237
A series of Tb and Bi co-doped LaGaO nanophosphors were synthesized by using polyol route and also characterised for their uncovering energy transfer mechanism... 
Polyol synthesis | Bismuth co-doping | Energy transfer efficiency | Photoluminescence | ENERGY-TRANSFER MECHANISM | LAALO3 | MATERIALS SCIENCE, MULTIDISCIPLINARY | CRYSTAL | BISMUTH | DISPLAYS | PHOSPHORS | TUNABLE LUMINESCENCE | OPTICS
Journal Article
Optical Materials, ISSN 0925-3467, 07/2017, Volume 69, p. 230
A series of Tb.sup.3+ and Bi.sup.3+ co-doped LaGaO.sub.3 nanophosphors were synthesized by using polyol route and also characterised for their uncovering... 
Alternative energy sources | Light-emitting diodes | Polyols | Photoluminescence
Journal Article
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