The Experts below are selected from a list of 163167 Experts worldwide ranked by ideXlab platform
Guoxiu Wang - One of the best experts on this subject based on the ideXlab platform.
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Molecular Dynamic investigation of length dependency of single-walled carbon nanotube
Physica E-low-dimensional Systems & Nanostructures, 2010Co-Authors: Ali Reza Ranjbartoreh, Guoxiu WangAbstract:Abstract This paper investigates the effects of length’s variations on Young’s modulus, compressive elastic modulus, tensile, compressive, and lateral stiffness, critical buckling strain, critical axial force and pressure of armchair and zigzag single-walled carbon nanotubes (SWCNTs). Molecular Dynamic simulation (MDS) method employed to analyse the mechanical properties of SWCNTs under tensile, compressive, and lateral loads. Both armchair and zigzag SWCNTs demonstrate higher tensile properties than compressive properties. Buckling modes of SWCNTs change with the length. Critical buckling strain of armchair nanotube is higher than that of zigzag type. Stiffness of SWCNTs is independent of length and chirality whereas elastic modulus increases with increase in nanotube’s length.
Ali Reza Ranjbartoreh - One of the best experts on this subject based on the ideXlab platform.
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Molecular Dynamic investigation of length dependency of single-walled carbon nanotube
Physica E-low-dimensional Systems & Nanostructures, 2010Co-Authors: Ali Reza Ranjbartoreh, Guoxiu WangAbstract:Abstract This paper investigates the effects of length’s variations on Young’s modulus, compressive elastic modulus, tensile, compressive, and lateral stiffness, critical buckling strain, critical axial force and pressure of armchair and zigzag single-walled carbon nanotubes (SWCNTs). Molecular Dynamic simulation (MDS) method employed to analyse the mechanical properties of SWCNTs under tensile, compressive, and lateral loads. Both armchair and zigzag SWCNTs demonstrate higher tensile properties than compressive properties. Buckling modes of SWCNTs change with the length. Critical buckling strain of armchair nanotube is higher than that of zigzag type. Stiffness of SWCNTs is independent of length and chirality whereas elastic modulus increases with increase in nanotube’s length.
Ping Zhang - One of the best experts on this subject based on the ideXlab platform.
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Quantum Molecular Dynamic simulations of warm dense carbon monoxide.
The Journal of chemical physics, 2011Co-Authors: Yujuan Zhang, Cong Wang, Ping ZhangAbstract:Using quantum Molecular Dynamic simulations, we have studied the thermophysical properties of warm dense carbon monoxide under extreme conditions. The principal Hugoniot pressure up to 286 GPa, which is derived from the equation of state, is calculated and compared with available experimental and theoretical data. The chemical decomposition of carbon monoxide has been predicted at 8 GPa by means of pair correlation function and the charge density distribution. Based on Kubo-Greenwood formula, the dc electrical conductivity and the optical reflectivity are determined, and the nonmetal-metal transition for shock compressed carbon monoxide is observed around 40 GPa.
Vijaya Raghavan - One of the best experts on this subject based on the ideXlab platform.
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Application of Molecular Dynamic simulation to study food proteins: A review.
Critical reviews in food science and nutrition, 2017Co-Authors: Ashutosh Singh, Sai Kranthi Vanga, Valérie Orsat, Vijaya RaghavanAbstract:This review presents an overview of the application of Molecular Dynamic simulation to study food proteins. Processing of food using thermal, chemical, radiation, electromagnetic, and mechanical techniques is subject to its macroMolecular bio-components such as carbohydrates and proteins to extreme heat, ionic strength, pH, and mechanical deformation. These processing factors affect protein's functional properties such as emulsification, dough formation, gelation, etc., which are associated with changes in their structure. It is difficult to study the structural changes of protein during processing using standard methods like Circular dichroism, Nuclear Magnetic Resonance (NMR), and X-ray diffraction. Hence, in this manuscript application of Molecular Dynamic simulation to visualize and analyze the protein Dynamics during processing has been evaluated. Effect of external stresses such as hydration, temperature, and electric field on protein structure have been analyzed and related mechanisms are explained. The response of food proteins to these stresses demonstrated that it is necessary to gain insight into protein Dynamics to be able to develop novel and/or modify existing food processing techniques to improve the overall nutritional and organoleptic qualities of processed food products.
V V Uzhinskii - One of the best experts on this subject based on the ideXlab platform.
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Application of Glauber scattering in the quantum Molecular Dynamic model
Journal of Physics G: Nuclear and Particle Physics, 2000Co-Authors: Kh Abdel-waged, A Abdel-hafiez, V V UzhinskiiAbstract:We propose a model based on Glauber-type scattering incorporated with quantum Molecular Dynamic model to describe proton-nucleus and nucleus-nucleus collisions at high energy (≥ 600 MeV) in a unified way. It is found that our model gives a good overall agreement with experimental data with a fixed parameter set, basically proton-invariant and neutron double differential cross sections.
