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Romain Amyot, Noriyuki Kodera and Holger Flechsig
Simulation of atomic force microscopy (AFM) computationally emulates experimental scanning of a biomolecular structure to produce topographic images that can be correlated with measured images. Its application to the enormous amount of available high-res...
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Zhukun Zhou, Xing Guo, Helin Jia, Guangxian Li, Xue Fan and Songlin Ding
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Li Li, Yujie Wei, Qi Feng, Fang Liu, Bin Liu and Beichen Pu
Molecular dynamics (MD) is an important method for studying the molecular and atomic scale of cement (geopolymer)-based composites which provides an effective method for the optimal design of cementitious materials. In this paper, the research progress o...
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Hongxia Li, Tianyang Yang, Xuewen Guo, Yupeng Wu, Jun Yan and Qingzhen Lu
Deep-water flexible composite pipes have been widely employed in the domain of deep-water oil and gas transportation, and high-density polyethylene (HDPE) is used to seal the inner sheath of internal oil and gas media containing H2S and CH4, due to its f...
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Shining Lyu, Youshan Gao, Aihong Wang and Yiming Hu
In this research, a multi-scale representative volume element method is introduced that combines the temperature and stress fields to analyze the force field distribution around microcracks in low-carbon steel using a combination of molecular dynamics an...
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Meynard Austria, Jon Patrick Garcia, Alvin Caparanga, Lemmuel Tayo and Bonifacio Doma, Jr.
Polymerase chain reaction (PCR) technique is one of the molecular methods in amplifying DNA for the detection of malaria. However, the collection and transportation of samples and the processing and dissemination of results via conventional PCR, especial...
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Arseny M. Kazakov, Azat V. Yakhin, Elvir Z. Karimov, Rita I. Babicheva, Andrey A. Kistanov and Elena A. Korznikova
A molecular dynamics (MD) simulation method is used to investigate the effect of grain boundary (GB) segregation on the deformation behavior of bicrystals of equiatomic nanoscale CoCrCuFeNi high-entropy alloy (HEA). The deformation mechanisms during shea...
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Leonid Burakovsky, Scott D. Ramsey and Roy S. Baty
Mixed oxides of uranium and plutonium (MOX) are currently considered as a reference fuel for the new generation of fast breeder reactors such as ASTRID. The key factor determining the performance and safety of a fuel such as MOX is its operational limits...
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Abdulhakeem S. Alamri, Majid Alhomrani, Walaa F. Alsanie, Hussain Alyami, Sonam Shakya, Hamza Habeeballah, Osama Abdulaziz, Abdulwahab Alamri, Heba A. Alkhatabi, Raed I. Felimban, Abdulhameed Abdullah Alhabeeb, Moamen S. Refat and Ahmed Gaber
The drug barbital (Bar) has a strong sedative?hypnotic effect. The intermolecular charge transfer compounds associated with the chemical reactions between Bar and some p acceptors, such as 2,6-dibromoquinone-4-chloroimide (DBQ), tetracyanoquinodimethane ...
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Guobiao Cai, Lihui Liu, Bijiao He, Guilong Ling, Huiyan Weng and Weizong Wang
Chemical and electrical thrusters are generally utilized to control the attitude and orbit of spacecraft in aerospace. When they are firing, the exhaust expands into the vacuum environment, known as the vacuum plume. The plume flow can collide with space...
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