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Macromolecular Architecture and Molecular Modelling of Dendrimers
Published in Neelesh Kumar Mehra, Keerti Jain, Dendrimers in Nanomedicine, 2021
Rahul Gauro, Keerti Jain, Vineet Kumar Jain, Neelesh Kumar Mehra, Harvinder Popli
This method, referred to as a potential method, measures the molecular potential energy as a sum of energy terms representing the variance of bond lengths, bond angles and torsional angles from the equilibrium values, plus the non-bonded pairs of atoms representing van der Waals and electrostatic interactions. E=Ebonds+Eangle+Edihedral+Enon-bonded
Modeling of Deformation and Fracture Process of Layered Nanocomposites
Published in Satya Bir Singh, Prabhat Ranjan, Alexander V. Vakhrushev, A. K. Haghi, Mechatronic Systems Design and Solid Materials, 2021
A. Yu. Fedotov, A. T. Lekontsev, A. V. Vakhrushev
The disadvantage of the EAM potential is that it does not take into account the direction of chemical bonds that arise when nuclei interact with p-electrons. Nevertheless, in most cases, the potential gives a satisfactory result when reproducing various properties of a wide range of chemical elements. The potential energy acting on a specific atom, calculated by the EAM potential method, is written in the following form: Vi=Fiρi+12∑j≠iNcφrij
Fish Lateral Line Inspired Perception and Flow-Aided Control: A Review
Published in Guangming Xie, Xingwen Zheng, Bionic Sensing with Artificial Lateral Line Systems for Fish-Like Underwater Robots, 2022
ALL sensors which have been developed are no match for that of real fish through evolution in sensitivity, stability, coordination, and information processing. We can optimize the design of the sensitive element and consider the resonance frequency for a better perception of ALL sensors. As for the stability, measurement errors in different temperature or pressure conditions should be taken into account. Additionally, waterproofing measures is necessary for the normal operation of sensors in the harsh conditions underwater. The development of new materials and micromachining technology provides possible methods for improvements in both areas. Not only should the performance of a single sensory unit be improved, the coordination of an array of ALL sensors is also important. Existing arrays of ALL sensors are mainly composed of a single type of sensors (pressure sensors or flow sensors) and arranged regularly, which is quite from that of real fish. Real lateral line consists of SNs and CNs for a comprehensive perception of surrounding environment and sensing cells are distributed in a specific pattern for a better sensing. Using pressure sensors and flow sensors simultaneously is a potential method to optimize the array of ALL sensors. Besides, we can put forward evaluation indexes of ALL in order to find out the best placement of sensors on the surface of underwater robots. In terms of information processing, the fish lateral line has many different sensory functions, which can be a reference standard for ALL sensors. Many algorithms in velocity measurements and dipole source detection have been put forward, but the sensory ability of ALL does not stop here. ALL has the potential to sense the obstacles, fish schools and even reconstruct the surrounding water environment, which is a basis of follow-up research on control of underwater robots.
Investigation of the electronic structure of Be2+He and Be+He, and static dipole polarisabilities of the helium atom
Published in Molecular Physics, 2018
J. Dhiflaoui, M. Bejaoui, M. Farjallah, H. Berriche
There are various interesting aspects in the potential energy curves of the ionic or neutral alkaline earth interacting with a rare-gas atom. In this work and using the pseudo-potential method, we have determined the potential energy curves of 15 electronic states of 2Σ+, 2Π and 2Δ symmetries for the ionic molecule Be+He dissociating into Be+(2s, 2p, 3s, 3p and 3d) + He. The potential energy curves have been calculated for a large and dense grid of intermolecular distance from 2.0 to 200 a.u.