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Applied Thermal Engineering, ISSN 1359-4311, 05/2018, Volume 136, pp. 576 - 588
•A framework to model the fluid flow and heat transfer in an axle housing is proposed.•Fluid flow and heat transfer inside the housing divided into two... 
Wet axle brake | Multiphase flow | Multi-disk brake | Heat transfer | Computational fluid dynamics (CFD) | Conjugate heat transfer (CHT)
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 05/2018, Volume 39, Issue 12, pp. 721 - 734
Journal Article
Applied Thermal Engineering, ISSN 1359-4311, 05/2018, Volume 136, p. 576
Journal Article
Journal of Food Engineering, ISSN 0260-8774, 06/2020, Volume 274, p. 109828
Journal Article
Carbon, ISSN 0008-6223, 08/2018, Volume 134, p. 43
Graphene nanoscrolls (GNS) have emerged as an important class of materials with applications in the field of lubrication, energy storage devices, and... 
Gold | Materials | Diamonds | Molecular dynamics | Scrolling | Carbon | Nanoparticles | Graphene | Platinum | Nickel | Catalysis | Lubrication | Energy storage
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 05/2018, Volume 39, Issue 12, pp. 721 - 734
Journal Article
Soft matter, ISSN 1744-683X, 01/2020
Functional groups present in thermo-responsive polymers are known to play an important role in aqueous solutions by manifesting their coil-to-globule... 
Journal Article
Carbon, ISSN 0008-6223, 08/2018, Volume 134, pp. 43 - 52
Graphene nanoscrolls (GNS) have emerged as an important class of materials with applications in the field of lubrication, energy storage devices, and... 
GOLD NANOPARTICLES | FRICTION | HYBRID MATERIALS | NANOINDENTATION | NICKEL | CARBON NANOSCROLLS | MATERIALS SCIENCE, MULTIDISCIPLINARY | REACTIVE FORCE-FIELD | PLATINUM NANOPARTICLES | CHEMISTRY, PHYSICAL | FEW-LAYER GRAPHENE | MOLECULAR-DYNAMICS SIMULATION | Molecular dynamics | Catalysis | Graphene | Computer storage devices | Graphite
Journal Article
MACROMOLECULES, ISSN 0024-9297, 12/2019, Volume 52, Issue 23, pp. 9398 - 9408
This contribution reports the molecular-level conformations of the backbone and side chains of thermosensitive bottlebrush polymers (BBPs) of... 
PNIPAM | TRANSITION | POLYMER SCIENCE | BRUSHES | LENGTH | COARSE-GRAINED MODEL | DYNAMICS | SIMULATION | DIMENSIONALITY-REDUCTION | WATER
Journal Article
The Journal of Physical Chemistry Letters, ISSN 1948-7185, 08/2018, Volume 9, Issue 16, pp. 4667 - 4672
Optimizing force-field (FF) parameters to perform molecular dynamics (MD) simulations is a challenging and time-consuming process. We present a novel FF... 
POLYMERS | GLASS-TRANSITION TEMPERATURE | MOLECULAR-DYNAMICS | MATERIALS SCIENCE, MULTIDISCIPLINARY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | FORCE-FIELD PARAMETERS | CHEMISTRY, PHYSICAL | NEURAL-NETWORK | NANOSCIENCE & NANOTECHNOLOGY | OPTIMIZATION | PREDICTION
Journal Article
MACROMOLECULES, ISSN 0024-9297, 07/2019, Volume 52, Issue 13, pp. 4875 - 4887
Understanding the effect of solvent on the polymer conformations is a fundamental problem in materials science and engineering. Here, we have developed, the... 
MIXTURES | DIBLOCK COPOLYMERS | POLYMER SCIENCE | BINARY | FORCE-FIELD | PROPIONIC-ACID | FREE-ENERGIES | MOLECULAR-DYNAMICS SIMULATION | CONFIGURATIONS | AQUEOUS-SOLUTION | WATER
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 06/2019, Volume 123, Issue 24, pp. 5190 - 5198
Accurate, faster, and on-the-fly analysis of the molecular dynamics (MD) simulations trajectory becomes very critical during the discovery of new materials or... 
UNCERTAINTY | CHEMISTRY, PHYSICAL | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | WATER
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 02/2018, Volume 122, Issue 6, pp. 1958 - 1971
We have employed two-to-one mapping scheme to develop three coarse-grained (CG) water models, namely, 1-, 2-, and 3-site CG models. Here, for the first time,... 
DIFFUSION-COEFFICIENT | TEMPERATURE-DEPENDENCE | NANOPARTICLE | CHEMISTRY, PHYSICAL | FORCE-FIELD | SYSTEM-SIZE | POTENTIALS | MOLECULAR-DYNAMICS SIMULATIONS | VIBRATIONAL-SPECTRA | SOLVENT | MULTIMILLION ATOM SIMULATIONS | Water | Molecular dynamics | Chemical properties | Benzene | Analysis
Journal Article
Computational Materials Science, ISSN 0927-0256, 04/2019, Volume 161, pp. 339 - 345
[Display omitted] Non-bonded force-field (FF) parameters between a two-dimensional hexagonal boron nitride (hBN) sheet and water molecules were developed. The... 
Hexagonal boron-nitride | Water | Force-field parameters | Particle swarm optimization | Hydrogen bond | MATERIALS SCIENCE, MULTIDISCIPLINARY | CONTACT-ANGLE | GRAPHENE | SOLVATION DYNAMICS | SURFACES | Boron nitride | Hydrogen | Mathematical optimization | Analysis | Force and energy
Journal Article
Biosystems Engineering, ISSN 1537-5110, 10/2019, Volume 186, pp. 106 - 117
A two-dimensional mathematical model of heat transfer was developed for heat transfer during the infrared (IR) peeling of tomato. The model was used to predict... 
Electric emitters | Infrared heating | Two-dimensional model | Heat transfer modeling | Emissive power | Tomato peeling | AGRICULTURAL ENGINEERING | AGRICULTURE, MULTIDISCIPLINARY
Journal Article
The Indian Journal of Pediatrics, ISSN 0019-5456, 8/2016, Volume 83, Issue 8, pp. 888 - 889
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1007/s12098-016-2095-1 
Medicine & Public Health | Pediatrics | Gynecology | PEDIATRICS | MANAGEMENT | Methods | Genetic disorders | Endoscopy
Journal Article
Journal of Food Engineering, ISSN 0260-8774, 2007, Volume 79, Issue 3, pp. 920 - 928
Journal Article
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