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9篇 您的检索式:作者名="Epstein HE"
    题名 作者 年代 出处 被引量
1Statistical variances of diffusional properties from ab initio molecular dynamics simulations显示文摘Ab initio molecular dynamics(AIMD)simulation is widely employed in studying diffusion mechanisms and in quantifying diffusional properties of materials.However,AIMD simulations are often limited to a few hundred atoms and a short,sub-nanosecond physical timescale,which leads to models that include only a limited number of diffusion events.As a result,the diffusional properties obtained from AIMD simulations are often plagued by poor statistics.In this paper,we re-examine the process to estimate diffusivity and ionic conductivity from the AIMD simulations and establish the procedure to minimize the fitting errors.In addition,we propose methods for quantifying the statistical variance of the diffusivity and ionic conductivity from the number of diffusion events observed during the AIMD simulation.Since an adequate number of diffusion events must be sampled,AIMD simulations should be sufficiently long and can only be performed on materials with reasonably fast diffusion.We chart the ranges of materials and physical conditions that can be accessible by AIMD simulations in studying diffusional properties.Our work provides the foundation for quantifying the statistical confidence levels of diffusion results from AIMD simulations and for correctly employing this powerful technique.Xingfeng He Yizhou Zhu Alexander Epstein Yifei Mo 2018npj Computational Materials2018,,1:6
2Tnactiwre of acetabnlum:A retrospective analysis显示文摘Matte JM Aderson L M Epstein HE 1986Clin Orthop1986,205,2:1
3Vegetation soil- thaw-depth relationships along a low arctic bioclimate gradi- ent, Alaska: synthesis of information from the ATLAS stud- ies显示文摘Walker DA Jia GJ Epstein HE 2003Permafrost and Periglacial Processes2003,14,:1
4Markers of multiple hematopoietic- cell lineages in multiple myeloma显示文摘Epstein J Xiao HQ He XY 1990N Engl J Med1990,322,10:1
5Optimal on-line algorithms for the uniform machine scheduling problem with ordinal data 显示文摘Tan Z Y He Y Epstein L 2005Information and Computation2005,196,:1
6Vegetation-soil-thaw-depth relationships along a low-arctic bioclimate gradient,Alaska:synthesis of information from the ATLAS studies显示文摘Walker DA Jia G J Epstein HE 0,,02:1
7Myosin-pararnyosin cofilaments: enzymatic interactions with F-actin 显示文摘EPSTEIN HF ARONOW B J HARRIS HE 1976Proc Natl Acad Sci USA1976,73,:1
8A NPP estimates from NDV1 for the Central Grassland Region of the United States显示文摘PARUELO JM EPSTEIN HE LAUENROTH WK 1997Ecology1997,78,:1
9Breakdown of Functional Connectivity in Frontoparietal Networks Underlies Behavioral Deficits in Spatial Neglect显示文摘Biyu J. He Abraham Z. Snyder Justin L. Vincent Adrian Epstein Gordon L. Shulman Maurizio Corbetta 2007Neuron2007,,6:1
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