A scheme for hybrid molecular dynamics/finite element analysis of thin film lubrication

Wear ◽  
1997 ◽  
Vol 207 (1-2) ◽  
pp. 100-106 ◽  
Author(s):  
T.-L Sham ◽  
John Tichy
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Finite Element Analysis ◽  
Finite Element ◽  
Thin Film Lubrication ◽  
Element Analysis ◽  
Film Lubrication

A Finite Element Analysis for Magnetostrictive Thin Film Structures and Its Experimental Verification

2006 ◽  
Vol 306-308 ◽  
pp. 1151-1156 ◽  
Author(s):  
Chong Du Cho ◽  
Heung Shik Lee ◽  
Chang Boo Kim ◽  
Hyeon Gyu Beom
Keyword(s):  
Thin Film ◽  
Finite Element Analysis ◽  
Finite Element ◽  
Geometric Feature ◽  
Hysteresis Phenomenon ◽  
Finite Element Code ◽  
Element Analysis ◽  
Element Mesh ◽  
Magnetostrictive Actuators ◽  
Large Length

In this paper, a finite element code especially for micro-magnetostrictive actuators was developed. Two significant characteristics of the presented finite element code are: (1) the magnetostrictive hysteresis phenomenon is effectively taken into account; (2) intrinsic geometric feature of typical thin film structures of large length to thickness ratio, which makes it very difficult to construct finite element mesh in the region of the thin film, is considered reasonably in modeling micro-magneostrictive actuators. For verification purpose, magnetostrictive thin films were fabricated and tested in the form of a cantilevered actuator. The Tb-Fe film and Sm-Fe film are sputtered on the Si and Polyimide substrates individually. The magnetic and magnetostrictive properties of the sputtered magnetostrictive films are measured. The measured magnetostrictive coefficients are compared with the numerically calculated ones.

A Combined Molecular Dynamics and Finite Element Analysis of Contact and Adhesion of a Rough Sphere and a Flat Surface

2011 ◽  
Vol 54 (6) ◽  
pp. 920-928 ◽  
Author(s):  
H. Eid ◽  
G. G. Adams ◽  
N. E. McGruer ◽  
A. Fortini ◽  
S. Buldyrev ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Finite Element Analysis ◽  
Finite Element ◽  
Flat Surface ◽  
Element Analysis ◽  
Rough Sphere

scholarly journals Intelligent Resolution: Integrating Cryo-EM with AI-driven Multi-resolution Simulations to Observe the SARS-CoV-2 Replication-Transcription Machinery in Action

2021 ◽  
Author(s):  
Anda Trifan ◽  
Defne Gorgun ◽  
Zongyi Li ◽  
Alexander Brace ◽  
Maxim Zvyagin ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Molecular Dynamics ◽  
Finite Element Analysis ◽  
Finite Element ◽  
Pharmaceutical Compounds ◽  
Viral Mrna ◽  
Element Analysis ◽  
Cryo Electron Microscopy ◽  
Optimal Resource ◽  
Domain Protein

The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) replication transcription complex (RTC) is a multi-domain protein responsible for replicating and transcribing the viral mRNA inside a human cell. Attacking RTC function with pharmaceutical compounds is a pathway to treating COVID-19. Conventional tools, e.g., cryo-electron microscopy and all-atom molecular dynamics (AAMD), do not provide sufficiently high resolution or timescale to capture important dynamics of this molecular machine. Consequently, we develop an innovative workflow that bridges the gap between these resolutions, using mesoscale fluctuating finite element analysis (FFEA) continuum simulations and a hierarchy of AI-methods that continually learn and infer features for maintaining consistency between AAMD and FFEA simulations. We leverage a multi-site distributed workflow manager to orchestrate AI, FFEA, and AAMD jobs, providing optimal resource utilization across HPC centers. Our study provides unprecedented access to study the SARS-CoV-2 RTC machinery, while providing general capability for AI-enabled multi-resolution simulations at scale.

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