scholarly journals The local environment of the molecules in water–DMSO mixtures, as seen from computer simulations and Voronoi polyhedra analysis

2015 ◽  
Vol 17 (5) ◽  
pp. 3470-3481 ◽  
Author(s):  
Abdenacer Idrissi ◽  
B. Marekha ◽  
M. Kiselev ◽  
Pál Jedlovszky
Keyword(s):  
Computer Simulation ◽  
Computer Simulations ◽  
Local Structure ◽  
Local Environment ◽  
Voronoi Polyhedra

The local structure of DMSO–water mixtures is studied by computer simulation and Voronoi analysis.

A Computer Simulation Approach for Engineering Air-Jet Spun Yarns

1997 ◽  
Vol 67 (3) ◽  
pp. 223-230 ◽  
Author(s):  
Rangaswamy Rajamanickam ◽  
Steven M. Hansen ◽  
Sundaresan Jayaraman
Keyword(s):  
Computer Simulation ◽  
Computer Simulations ◽  
Fiber Length ◽  
Experimental Investigations ◽  
Simulation Approach ◽  
Air Jet ◽  
Fiber Fineness ◽  
Spun Yarns ◽  
Yarn Count ◽  
Wrap Angle

A computer simulation approach for engineering air-jet spun yarns is proposed, and the advantages of computer simulations over experimental investigations and stand-alone mathematical models are discussed. Interactions of the following factors in air-jet spun yarns are analyzed using computer simulations: yarn count and fiber fineness, fiber tenacity and fiber friction, fiber length and fiber friction, and number of wrapper fibers and wrap angle. Based on the results of these simulations, yarn engineering approaches to optimize strength are suggested.

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.

scholarly journals Transformation of Gear Inter-Teeth Forces into Acceleration and Velocity

1999 ◽  
Vol 5 (3) ◽  
pp. 203-218 ◽  
Author(s):  
Walter Bartelmus
Keyword(s):  
Computer Simulation ◽  
Mathematical Modelling ◽  
Computer Simulations ◽  
Production Technology ◽  
Vibration Acceleration ◽  
Acceleration Signal ◽  
Field Practice ◽  
Design Production ◽  
Extended Interpretation

The paper deals with mathematical modelling and computer simulation of a gearbox system. Results of computer simulation show new possibilities of extended interpretation of a diagnostic acceleration signal if signal is obtained by synchronous summation. Four groups of factors: design, production technology, operation, change of gear condition are discussed. Results of computer simulations give the relation between inter-teeth forces and vibration (acceleration, velocity). Some results of computer simulations are referred to the results obtained in rig measurements and in field practice. The paper shows a way of increasing the expert's knowledge on the diagnostic signal, which is generated by a gearbox system, on a base of mathematical modelling and computer simulation.

Computer Simulation Studies of Fracture in Vitreous Silica

2002 ◽  
Vol 731 ◽  
Author(s):  
Romulo Ochoa ◽  
Michael Arief ◽  
Joseph H. Simmons
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Computer Simulations ◽  
Silica Glass ◽  
Vitreous Silica ◽  
Uniaxial Strain ◽  
Force Function ◽  
Simulation Studies ◽  
Previous Fracture ◽  
Computer Simulation Studies

AbstractWe conduct molecular dynamics computer simulations of fracture in silica glass using the van Beest, Kramer, and van Santen model. Stress is applied by uniaxial strain at different pulling rates. Comparisons with previous fracture simulations of silica that used the Soules force function are presented. We find that in both models stress is relieved by rotation of the (SiO4)-2 tetrahedrons, increasing Si-O-Si bonding angles, and only small changes in the tetrahedron dimensions and O-Si-O angles.

scholarly journals Quaternary regenerative CMOS logic circuits with high-impedance output state

2005 ◽  
Vol 18 (3) ◽  
pp. 505-514
Author(s):  
Dusanka Bundalo ◽  
Branimir Ðordjevic ◽  
Zlatko Bundalo
Keyword(s):  
Computer Simulation ◽  
Computer Simulations ◽  
Delay Time ◽  
Propagation Delay ◽  
Logic Circuits ◽  
Output State ◽  
High Impedance ◽  
Multiple Valued Logic ◽  
Propagation Delay Time ◽  
Simulation Results

Principles and possibilities of synthesis and design of quaternary multiple valued regenerative CMOS logic circuits with high-impedance output state are de- scribed and proposed in the paper. Two principles of synthesis and implementation of CMOS regenerative quaternary multiple-valued logic circuits with high-impedance output state are proposed and described: the simple circuits with smaller number of transistors, and the buffer/driver circuits with decreased propagation delay time. The schemes of such logic circuits are given and analyzed by computer simulations. Some of computer simulation results confirming descriptions and conclusions are also given in the paper.

Reciprocity Research and Its Implications for the Negotiation Process

1998 ◽  
Vol 3 (2) ◽  
pp. 151-169 ◽  
Author(s):  
◽  
Keyword(s):  
Computer Simulation ◽  
Empirical Research ◽  
Computer Simulations ◽  
Social Dilemma ◽  
Negotiation Process ◽  
Behavioral Research ◽  
Previous Trial ◽  
Behavioral Strategies ◽  
Social Scientists ◽  
Tit For Tat

AbstractWhile social scientists have discussed the issue of reciprocation for many years, much of current behavioral research stems from Robert Axelrod's computer simulations of behavioral strategies in prisoner's dilemma games. Axelrod showed that a tit-for-tat strategy – cooperate on the first trial, and thereafter behave as your opponent did on the previous trial – earned a higher average payoff than any other tested strategy. We review both the computer simulation and empirical research that followed his studies. We suggest that it would be fruitful to extend this research to the negotiation paradigm, for two reasons: (1) many of the findings have direct bearing on elements of the negotiation process, and (2) there are unique aspects of the negotiation process that pose interesting questions for social dilemma research.

Approaches to a Concept of Simulation

2017 ◽  
Author(s):  
Inge Hinterwaldner
Keyword(s):  
Computer Simulation ◽  
Media Studies ◽  
Computer Simulations ◽  
Natural Sciences ◽  
The Other ◽  
Single Spectrum ◽  
Media Philosophy ◽  
Technical Sense ◽  
The One ◽  
Definition Of

It can be shown that the different conceptions of ‘simulation’ (the one of culture critique on the one hand and the denomination of technical applications on the other) that seem to be incompatible with each other can be reconciled on a single spectrum. Its basis in models, its replacement of reality, its lack of reference and of precession of the referent are some pejorative characteristics often emphasized in media philosophy with regard to simulations, for which the sciences applying computer simulations have no use for. It helps crossing over the views that first seem opposite to each other, but that turn out to be compatible if its root in reality is recognized and thus the representational logic is accepted at least according to the intention. The chapter combines ideas of the 'simulacrum' retrieved in the natural sciences with traces of cybernetic thinking in media studies. The whole study builds on a definition of computer simulation in the technical sense as the involvement with and the act of execution f a dynamic mathematic or procedural model that projects, depicts, or recreates a system or process.

Computer Simulations

2019 ◽  
pp. 9-20
Author(s):  
Paul Humphreys
Keyword(s):  
Computer Simulation ◽  
Numerical Methods ◽  
Computer Simulations ◽  
Scientific Progress ◽  
Computational Science ◽  
Working Definition ◽  
Mathematical Techniques ◽  
Definition Of ◽  
Special Case ◽  
Numerical Treatments

The need to solve analytically intractable models has led to the rise of a new kind of science, computational science, of which computer simulations are a special case. It is noted that the development of novel mathematical techniques often drives scientific progress and that even relatively simple models require numerical treatments. A working definition of a computer simulation is given and the relation of simulations to numerical methods is explored. Examples where computational methods are unavoidable are provided. Some epistemological consequences for philosophy of science are suggested and the need to take into account what is possible in practice is emphasized.

Achieving high thermal stability of different rare-earth ions in a single matrix host via the manipulation of the local structure by a solid solution

2020 ◽  
Vol 22 (28) ◽  
pp. 16294-16300
Author(s):  
Xiuxia Yang ◽  
Lei Zhao ◽  
Zhichao Liu ◽  
Shuyu Tian ◽  
Hao Zhang ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Solid Solution ◽  
Rare Earth ◽  
Local Structure ◽  
Local Environment ◽  
High Thermal Stability ◽  
Rare Earth Ions ◽  
Single Matrix ◽  
Thermal Stability Of

Manipulating the local environment of CAS by substitution of Al3+–Y3+ for Si4+–Ca2+ to achieve more stability in the structure of CYA.

Matrix Effects in X-ray Fluorescence Holography: Samples of Arbitrary Thickness

2016 ◽  
Vol 230 (4) ◽  
Author(s):  
Dawid Tadeusz Dul ◽  
Paweł Korecki
Keyword(s):  
Computer Simulations ◽  
Local Structure ◽  
Matrix Effects ◽  
Quantitative Interpretation ◽  
Thin Sample ◽  
X Ray ◽  
Beam Attenuation ◽  
Arbitrary Thickness ◽  
Sample Approximation ◽  
Holographic Reconstruction

AbstractThe influence of matrix effects i.e. beam attenuation (BA) and indirect excitation (IE) on local structure imaging with multiple-energy x-ray fluorescence holography is studied using computer simulations. An analytic formalism is developed which allows for the description of BA and IE when the thickness of the sample is arbitrary. It is shown that beyond the thin-sample approximation, in specific cases, the measured holograms cannot be treated as entirely element sensitive. Consequently, it is demonstrated that due to the reduction of element sensitivity, spurious maxima can arise in the holographic reconstruction which can be misinterpreted as atomic images. The proposed formalism allows one to analyse BA and IE and to correct for them. It opens way for quantitative interpretation of x-ray fluorescence holograms.

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