INITIO

作品数:188被引量:255H指数:6
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相关领域:理学更多>>
相关作者:肖鹤鸣姬广富苏忠民贡雪东王荣顺更多>>
相关机构:南京理工大学东北师范大学吉林大学中国科学院更多>>
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相关基金:国家自然科学基金国家重点基础研究发展计划中国博士后科学基金国家教育部博士点基金更多>>
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Computing R_(0) of dynamic models by a definition-based method
《Infectious Disease Modelling》2022年第2期196-210,共15页Xiaohao Guo Yichao Guo Zeyu Zhao Shiting Yang Yanhua Su Benhua Zhao Tianmu Chen 
supported by the Bill&Melinda Gates Foundation(INV-005834);The National Key Research and Development Program of China(2021YFC2301604);the research project on education and teaching reform of undergraduate universities of Fujian Province,China(FBJG20210260).
Objectives:Computing the basic reproduction number(R0)in deterministic dynamical models is a hot topic and is frequently demanded by researchers in public health.The nextgeneration methods(NGM)are widely used for such...
关键词:Definition-based method Dynamics model Basic reproduction number Next-generation method 
A Programmable Pre-emphasis Technique with Combined RLC Source Degeneration for High-Speed Serial Link Transmitters被引量:1
《Chinese Journal of Electronics》2022年第1期52-58,共7页WANG Tonghui ZOU Jiaxuan QI Huanhuan WANG Xi WANG Jingbo ZHANG Hong 
supported by the National Natural Science Foundation of China(61974118,62004156)。
This paper presents a clock-less programmable pre-emphasis technique realized by a driver with combined resistive-inductive-capacitive source degeneration for high-speed serial link transmitters. The addition of a ser...
关键词:PRE-EMPHASIS High-speed transmitter Resistive-inductive-capacitive(RLC)source degeneration High-definition-multimedia-interface(HDMI)and Digital-visual-interface(DVI) Cable driver 
Water Molecules in Carbon 70, (H<sub>2</sub>O)<sub>3</sub>@C<sub>70</sub>
《Journal of Biophysical Chemistry》2020年第2期15-25,共11页M. Baskar N. Sathyan 
Endohedral fullerene studies are the fascinating one, particularly with Carbon 60 and Carbon 70. Water molecules inside fullerenes alter their cage structure, reorientations make them to play a lot in charge distribut...
关键词:CARBON 70 (H2O)3@C70: Endohedral FULLERENE Ab INITIO Self Consistent Field Dipole Moment 
Ultrahigh-strain ferroelasticity in two-dimensional honeycomb monolayers:from covalent to metallic bonding被引量:1
《Science Bulletin》2020年第2期147-152,88,共7页Zhengyuan Tu Menghao Wu 
supported by the National Natural Science Foundation of China(21573084).
We propose a possible ferroelastic switching pathway of two-dimensional(2 D)honeycomb lattice(including graphene,BN,stanene,etc.)that may swap its armchair and zigzag direction,reversing an unprecedented strain of 73....
关键词:Malleable metallic bonding FERROELASTICITY Ultra-high reversible STRAIN MULTIFERROICS Ab INITIO calculations 
The Optimal Precursors for ENSO Events Depicted Using the Gradientdefinition-based Method in an Intermediate Coupled Model
《Advances in Atmospheric Sciences》2019年第12期1381-1392,共12页Bin MU Juhui REN Shijin YUAN Rong-Hua ZHANG Lei CHEN Chuan GAO 
supported by the Fundamental Research Funds for the Central Universities (Grant No. 22120190 207);the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDA19060102);the National Key Research and Development Program of China (Grant No. 2017YFC1404102(2017YFC1404100));the National Programme on Global Change and Air-Sea Interaction (Grant No. GASIIPOVAI-06);National Natural Science Foundation of China (Grant Nos. 41690122(41690120), 41490644(41490640), 414210 05);the Taishan Scholarship;the Institute of Oceanology, Chinese Academy of Sciences, for providing technical support for IOCAS ICM
The predictability of El Ni-o-Southern Oscillation (ENSO) has been an important area of study for years. Searching for the optimal precursor (OPR) of ENSO occurrence is an effective way to understand its predictabilit...
关键词:OPTIMAL precursor ENSO gradient-definition-based method conditional nonlinear OPTIMAL perturbation INTERMEDIATE coupled model 
Some recent advances in ab initio calculations of nonradiative decay rates of point defects in semiconductors被引量:1
《Journal of Semiconductors》2019年第9期26-31,共6页Linwang Wang 
supported by the Director, Office of Science (SC), Basic Energy Science (BES)/Materials Science and Engineering Division (MSED) of the U.S. Department of Energy (DOE) under the Contract No. DE-AC02-05CH11231 through the Theory of Material project
In this short review,we discuss a few recent advances in calculating the nonradiative decay rates for point defects in semiconductors.We briefly review the debates and connections of using different formalisms to calc...
关键词:SCF SOME recent advances in ab INITIO calculations of nonradiative DECAY rates of point defects in SEMICONDUCTORS 
Dynamics of the phase-change material GeTe across the structural phase transition被引量:2
《Frontiers of physics》2019年第2期65-71,共7页T. Chatterji S. Rols U. D. Wdowik 
Results of inelastic neutron scattering experinients and ab initio molecular dynamics simulations for GeTe 一 the parent compound of phase-change materials are reported. The inelastic neutron spectra of GeTe powder sa...
关键词:PHASE-CHANGE MAT erials INELASTIC neutron scattering ab INITIO molecular DYNAMICS 
Chiral phase diagram of strongly interacting matter at finite volume被引量:1
《Science China(Physics,Mechanics & Astronomy)》2018年第8期93-96,共4页Chao Shi YongHui Xia WenBao Jia HongShi Zong 
supported by the National Natural Science Foundation of China(Grant Nos.11475085,11535005,11690030,and 51405027);the China Postdoctoral Science Foundation(Grant No.2016M591808);the Fundamental Research Funds for the Central Universities(Grant No.020414380074);the Major State Basic Research and Development Program of China(Grant No.2016YFE0129300)
At extremely high temperature T~200 Me V and low chemical potentialμ,the quarks and gluons get released from the nucleon and form the quark-gluon plasma(QGP)state,which is accessible in the heavy ion collisions(HIC)...
关键词:有限体积 物质 交往 INITIO 阶段转变 重离子碰撞 RHIC 扫描程序 
Theoretical Investigations on the π-π Stacking Interactions in Phenol-Water Complexes
《Computational Chemistry》2018年第2期15-25,共11页Shruti Sharma Mrinal J Bezbaruah Ibrahim Ali Mahasweta Choudhury Bipul Bezbaruah 
Non covalent interactions are quite common in all kinds of π-systems, such as π-π interactions, long range/short range van der waal force of interactions, ion-π interactions etc. Ab initio calculations are well es...
关键词:PHENOL π-π STACKING MP2 Ab INITIO etc. 
Computational and Experimental Analyses of Detachment Force at the Interface between Carbon Fibers and Epoxy Resin
《Open Journal of Composite Materials》2017年第4期179-184,共6页Kazuki Mori Nobuhiko Matsumoto Sukeharu Nomoto Kenji Tsuruta 
Herein, we used theoretical and experimental methods to investigate the shear fracture strengths of carbon fiber/epoxy resin interfaces. The shear strengths of carbon fiber and epoxy resin were measured using the micr...
关键词:Carbon Fiber–Reinforced Composite Ab INITIO Method Molecular Dynamics Simulation MICRODROPLET Test 
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