scholarly journals Effects of ion concentration and solvent composition on the properties of water-methanol solutions of NaCl. NPT molecular dynamics computer simulation results

2018 ◽  
Vol 21 (2) ◽  
pp. 23601
Author(s):  
Cruz Sanchez ◽  
Gujt ◽  
Sokolowski ◽  
Pizio
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Solvent Composition ◽  
Ion Concentration ◽  
Methanol Solutions ◽  
Simulation Results

SIMULATION OF SOFT START OF SYNCHRONOUS ELECTRIC DRIVES

2019 ◽  
Author(s):  
Shakhboz Dadabaev
Keyword(s):  
Computer Simulation ◽  
Electric Drive ◽  
Water Supply Systems ◽  
Factors Affecting ◽  
Electric Drives ◽  
Soft Start ◽  
Simulation Results ◽  
Pumping Units ◽  
Negative Factors ◽  
Supply Systems

The main negative factors affecting the starting modes of synchronous electric drives of pumping units of irrigation water supply systems were identified, computer simulation of direct and soft start of synchronous electric drive was made, the simulation results are shown in graphs and a brief conclusion was made on the study.

Computer simulation to evaluate the economics of landfill gas recovery

1998 ◽  
Vol 38 (2) ◽  
pp. 201-208
Author(s):  
M. W. Milke
Keyword(s):  
Computer Simulation ◽  
Computer Program ◽  
Landfill Gas ◽  
Base Case ◽  
Simulation Tool ◽  
Hypothetical Case ◽  
Gas Recovery ◽  
Fixed Set ◽  
Key Variables ◽  
Simulation Results

A need exists for tools to improve evaluations of the economics of landfill gas recovery. A computer simulation tool is presented. It uses a spreadsheet computer program to calculate the economics for a fixed set of inputs, and a simulation program to consider variations in the inputs. The method calculates the methane generated each year, and estimates the costs and incomes associated with the recovery and sale of the gas. Base case results are presented for a city of 500,000. An uncertainty analysis for a hypothetical case is presented. The simulation results can help an analyst see the key variables affecting the economics of a project.

scholarly journals The effects of solvent composition on the affinity of a peptide towards hair keratin: experimental and molecular dynamics data

RSC Advances ◽  
2015 ◽  
Vol 5 (16) ◽  
pp. 12365-12371 ◽  
Author(s):  
Egipto Antunes ◽  
Célia F. Cruz ◽  
Nuno G. Azoia ◽  
Artur Cavaco-Paulo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Solvent Composition ◽  
Hair Keratin ◽  
Dynamics Simulations ◽  
Hair Shafts ◽  
Peptide Uptake

Molecular dynamics simulations with a developed hair protofibril model demonstrated the ability to improve peptide uptake by hair shafts.

Road Feel Design for Vehicle Steer-by-Wire System Based on Joystick

2013 ◽  
Vol 336-338 ◽  
pp. 734-737
Author(s):  
Hong Yu Zheng ◽  
Ya Ning Han ◽  
Chang Fu Zong
Keyword(s):  
Computer Simulation ◽  
Control Strategy ◽  
Vehicle Speed ◽  
Control Module ◽  
Matlab Simulink ◽  
The Road ◽  
Steering Feel ◽  
Steer By Wire ◽  
Simulation Results ◽  
Wire System

In order to solve the problem of road feel feedback of vehicle steer-by-wire (SBW) system based on joystick, a road feel control strategy was established to analyze the road feel theory of traditional steer system, which included return, assist and damp control module. By verifying the computer simulation results with the control strategy from software of CarSim and Matlab/Simulink, it shows that the proposed strategy can effective get road feel in different vehicle speed conditions and could improve the vehicle maneuverability to achieve desired steering feel by different drivers.

Computer Simulation of ao Screw Dislocations in Ni3Al

1990 ◽  
Vol 213 ◽  
Author(s):  
T.A. Parthasarathy ◽  
D.M. Dimiduk ◽  
C. Woodward ◽  
D. Diller
Keyword(s):  
Computer Simulation ◽  
Screw Dislocation ◽  
Elastic Anisotropy ◽  
Elastic Interaction ◽  
Embedded Atom Method ◽  
Interaction Torque ◽  
Embedded Atom ◽  
Reduced Height ◽  
Plane Step ◽  
Simulation Results

ABSTRACTDissociation of the ao<110> screw dislocation in Ni3Al was studied using the embedded atom method of computer simulation. The dissociation occurred predominantly along the {111} plane, however, a {001}-plane step occurred in the APB at the center of the configuration. When a pair of ao/2<110> superpartials initially separated in the {111} plane was relaxed, the step formed once again but with a reduced height. When the pair was relaxed from larger distances the step was not formed. The results indicate that the elastic interaction “torque” due to elastic anisotropy is responsible for the formation of the {001} APB step. When a stress was applied to these dislocation configurations by simulation, results confirmed that the step in the APB and the octahedral cross-slipped-core dissociations can be significant barriers to glide of the screw dislocation.

Computer Simulation of an Synthetic Ultraviolet Absorbent in the Interface of DMB and DMF

2010 ◽  
Vol 146-147 ◽  
pp. 966-971
Author(s):  
Qi Hua Jiang ◽  
Hai Dong Zhang ◽  
Bin Xiang ◽  
Hai Yun He ◽  
Ping Deng
Keyword(s):  
Computer Simulation ◽  
Computer Simulations ◽  
Density Functional ◽  
Density Functional Method ◽  
Mean Field ◽  
Functional Method ◽  
Dynamic Density ◽  
Interface Phase ◽  
Simulation Results

This work studies the aggregation of an synthetic ultraviolet absorbent, named 2-hydroxy-4-perfluoroheptanoate-benzophenone (HPFHBP), in the interface between two solvents which can not completely dissolve each other. The aggregation is studied by computer simulations based on a dynamic density functional method and mean-field interactions, which are implemented in the MesoDyn module and Blend module of Material Studios. The simulation results show that the synthetic ultraviolet absorbent diffuse to the interface phase and the concentration in the interface phase is greater than it in the solvents phase.

Sign in / Sign up

Export Citation Format

Share Document