Detecting Individual Bond Switching within Amides in a Tunneling Junction

Nano Letters ◽  
2021 ◽  
Author(s):  
Mingzhu Huang ◽  
Qinghai Zhou ◽  
Feng Liang ◽  
Lei Yu ◽  
Bohuai Xiao ◽  
...  
Processes ◽  
2020 ◽  
Vol 8 (10) ◽  
pp. 1252
Author(s):  
Hadar Elyashiv ◽  
Revital Bookman ◽  
Lennart Siemann ◽  
Uri ten Brink ◽  
Katrin Huhn

The Discrete Element Method has been widely used to simulate geo-materials due to time and scale limitations met in the field and laboratories. While cohesionless geo-materials were the focus of many previous studies, the deformation of cohesive geo-materials in 3D remained poorly characterized. Here, we aimed to generate a range of numerical ‘sediments’, assess their mechanical response to stress and compare their response with laboratory tests, focusing on differences between the micro- and macro-material properties. We simulated two endmembers—clay (cohesive) and sand (cohesionless). The materials were tested in a 3D triaxial numerical setup, under different simulated burial stresses and consolidation states. Variations in particle contact or individual bond strengths generate first order influence on the stress–strain response, i.e., a different deformation style of the numerical sand or clay. Increased burial depth generates a second order influence, elevating peak shear strength. Loose and dense consolidation states generate a third order influence of the endmember level. The results replicate a range of sediment compositions, empirical behaviors and conditions. We propose a procedure to characterize sediments numerically. The numerical ‘sediments’ can be applied to simulate processes in sediments exhibiting variations in strength due to post-seismic consolidation, bioturbation or variations in sedimentation rates.


2016 ◽  
Vol 848 ◽  
pp. 688-695
Author(s):  
Xiao Hong Xiao ◽  
Shi Chun Li

The bonds structure, atomic coordination situation and local cluster structure in SrBi2Ta2O9 were analyzed by means of the Atomic Environment Calculation (AEC), and then the SrBi2Ta2O9 crystal was decomposed into 20 pseudo-binary crystals with the crystal decomposition method. The chemical bonds properties, such as effective valence electron density and iconicity of the individual bond were calculated by the dielectric chemical bonds theory. And the correlation between chemical bonds properties and spontaneous polarization of the bismuth layered ferroelectrics was established. Finally, the spontaneous polarization in ferroelectric SrBi2Ta2O9 and other relevant ferroelectrics were calculated, which are in good agreement with the experimental values and other theoretical calculated values.


1983 ◽  
Vol 19 (3) ◽  
pp. 938-941 ◽  
Author(s):  
H. Ihara ◽  
Y. Kimura ◽  
H. Okumura ◽  
S. Gonda

Author(s):  
Zhengzhong Zhang ◽  
Rui Bo ◽  
Chao Wang ◽  
Guang Song ◽  
Weishi Tan ◽  
...  

2011 ◽  
Vol 109 (7) ◽  
pp. 07C731 ◽  
Author(s):  
Lubna R. Shah ◽  
Nupur Bhargava ◽  
Sangcheol Kim ◽  
Ryan Stearrett ◽  
Xiaoming Kou ◽  
...  

2001 ◽  
Vol 37 (4) ◽  
pp. 1963-1966 ◽  
Author(s):  
Tzu-Ning Fang ◽  
Jian-Gang Zhu
Keyword(s):  

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