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北京大学 [5]
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Assessing Effects of van der Waals Corrections on Elasticity of Mg
3
Bi
2-x
Sb
x
in DFT Calculations
期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 19, 页码: 15
作者:
Peng, Qing
;
Ma, Xinjie
;
Yang, Xiaoyu
;
Zhao, Shuai
;
Yuan, Xiaoze
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/11/13
thermoelectric materials
PBE-D3
vdW-DFq
first-principles calculation
Mg3Bi2-xSbx
Effect of contact angles on dynamical characteristics of the annular focused jet between parallel plates
期刊论文
PHYSICS OF FLUIDS, 2022, 卷号: 34, 期号: 5, 页码: 11
作者:
Huang, Jian
;
Wang, Guanghang
;
Wang, Yiwei
;
Wang, Jingzhu
;
Yao, Zhaohui
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2022/07/18
Toward the Rational Design of Mid-Infrared Nonlinear Optical Materials with Targeted Properties via a Multi-Level Data-Driven Approach
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022, 卷号: 32, 期号: 23, 页码: 1-9
作者:
Cai, WB (Cai, Wenbing) [1]
;
Abudurusuli, A (Abudurusuli, Ailijiang) [1] , [2]
;
Xie, CW (Xie, Congwei) [1]
;
Tikhonov, E (Tikhonov, Evgenii) [1]
;
Li, JJ (Li, Junjie) [1] , [2]
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2022/06/21
crystal structure prediction
high-throughput computation and screening
machine learning
nonlinear optical material
second harmonic generation response
Molecular dynamics study on the stability of foot-and-mouth disease virus particle in salt solution
期刊论文
MOLECULAR SIMULATION, 2021, 页码: 8
作者:
Li, Chen
;
Chen, Wei
;
Lin, Xuan
;
Zhang, Songping
;
Wang, Yufei
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  |  
浏览/下载:15/0
  |  
提交时间:2021/08/31
Foot-and-mouth disease virus
saline solution
stability
molecular dynamics simulation
free energy calculation
OpenAnnotate: a web server to annotate the chromatin accessibility of genomic regions
期刊论文
NUCLEIC ACIDS RESEARCH, 2021, 卷号: 49, 期号: W1, 页码: W483-W490
作者:
Chen, Shengquan
;
Liu, Qiao
;
Cui, Xuejian
;
Feng, Zhanying
;
Li, Chunquan
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  |  
浏览/下载:66/0
  |  
提交时间:2021/10/26
Integrating data mining and machine learning to discover high-strength ductile titanium alloys
期刊论文
ACTA MATERIALIA, 2021, 卷号: 202, 页码: 211-221
作者:
Zou, Chengxiong
;
Li, Jinshan
;
Wang, William Yi
;
Zhang, Ying
;
Lin, Deye
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  |  
浏览/下载:45/0
  |  
提交时间:2021/03/15
High-throughput calculation
Machine learning
Electron work function
Similar atomic environment
Bonding charge density
Review on Metastable Phase Diagrams: Application Roles in Specialty Ceramic Coatings
期刊论文
JOURNAL OF INORGANIC MATERIALS, 2020, 卷号: 35, 期号: 1, 页码: 19-28
作者:
Huang Ye-Yan
;
Xu Kai
;
Wu Bo
;
Li Peng
;
Chang Ke-Ke
收藏
  |  
浏览/下载:65/0
  |  
提交时间:2020/12/16
AZO THIN-FILMS
HIGH-TEMPERATURE
METALLIC-GLASS
FECRAL ALLOYS
THERMODYNAMIC ASSESSMENT
MECHANICAL-PROPERTIES
DEPENDENT STABILITY
TI1-XALXN COATINGS
OPTICAL-PROPERTIES
GZO FILMS
Highly oxygenated polyketides produced by Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the fresh roots of the medicinal plant Artemisia argyi
期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 94, 页码: 9
作者:
Shi, Xiao-Shan
;
Li, Hong-Lei
;
Li, Xiao-Ming
;
Wang, Dun-Jia
;
Li, Xin
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2020/03/20
Artemisia argyi
Endophytic fungus
Trichoderma koningiopsis
Secondary metabolites
Polyketides
Antimicrobial activities
Enhancement of facultative anaerobic denitrifying communities by oxygen release from roots of the macrophyte in constructed wetlands
期刊论文
JOURNAL OF ENVIRONMENTAL MANAGEMENT, 2019, 卷号: 246, 页码: 157-163
作者:
Sun, Haishu
;
Xu, Shengjun
;
Wu, Shanghua
;
Wang, Rui
;
Zhuang, Guoqiang
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2020/10/23
Constructed wetland
Nitrogen removal
Root oxygen release
Facultative anaerobic niches
Denitrifying communities
High-throughput thermodynamic computation and experimental study of solid-state phase transitions in organic multicomponent orientationally disordered phase change materials for thermal energy storage
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2019, 卷号: 64, 页码: 66-77
作者:
Shi, Renhai[1]
;
Chandra, Dhanesh[2]
;
Chien, Wen-Ming[3]
;
Wang, Jingjing[4]
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/04/22
High-throughput calculation
CALPHAD
Thermal energy storage
Solid-state phase change materials
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