Complex formation in solid deuterium in the presence of a ion

1987 ◽  
Vol 65 (1) ◽  
pp. 67-75 ◽  
Author(s):  
S. K. Bose ◽  
J. D. Poll
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Complex Formation ◽  
Infrared Absorption ◽  
Stationary Point ◽  
Theoretical Study ◽  
Supersonic Nozzle ◽  
Solid Deuterium ◽  
Nozzle Beam ◽  
Supersonic Nozzle Beam

Using the Metropolis scheme, we have carried out a Monte Carlo simulation of solid deuterium in the neighbourhood of a [Formula: see text] ion. The simulation is performed using a [Formula: see text] potential, which is based on the theoretical study of the stationary-point geometries of [Formula: see text] conformers by Yamaguchi et al. Complexes similar to [Formula: see text] clusters, as observed in the supersonic nozzle-beam experiments of van Deursen and Reuss, are found to form in the solid. Infrared absorption in solid deuterium due to the presence of such complexes is discussed.

Theoretical study of synergetic effect between halogenation and pyrazine substitutions on transport properties of silylethynylated pentacene

2019 ◽  
Vol 43 (8) ◽  
pp. 3583-3600 ◽  
Author(s):  
Jian-Xun Fan ◽  
Li-Fei Ji ◽  
Ning-Xi Zhang ◽  
Pan-Pan Lin ◽  
Gui-Ya Qin ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Charge Transport ◽  
Transport Properties ◽  
Quantum Tunneling ◽  
Theoretical Study ◽  
Kinetic Monte Carlo ◽  
Synergetic Effect ◽  
Tunneling Effect ◽  
Disorder Effects

Combining quantum-tunneling-effect-enabled hopping theory with kinetic Monte Carlo simulation and dynamic disorder effects, the charge transport properties of a series of N-hetero 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-PEN) derivatives with halogen substitutions were studied.

scholarly journals Theoretical study on the accumulation of selfish DNA

1983 ◽  
Vol 41 (1) ◽  
pp. 1-15 ◽  
Author(s):  
Tomoko Ohta
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Essential Role ◽  
Theoretical Study ◽  
Probability Generating Function ◽  
Selfish Dna ◽  
Probability Of Survival ◽  
Selective Elimination ◽  
Self Replication ◽  
Eukaryotic Genomes

SUMMARYThe accumulation of selfish DNA in eukaryotic genomes was studied from the standpoint of population genetics. Selfish DNA is assumed to replicate itself within a haploid set. For the selectively neutral case, the fate of a single self-replicating DNA segment (unit) within a population was investigated by the method of the probability generating function, and by Monte Carlo simulation, with special reference to the probability of survival and average number of units per haploid set. For the selectively deleterious case at the organismal level, the equilibrium between new occurrence and selective elimination was studied, and the average and variance of the number of units per haploid set in the population was examined by Monte Carlo simulation. It is shown that the process of self-replication (duplication–deletion) plays an essential role for the maintenance and elimination of selfish DNA.

Ionization of NO2 clusters in a supersonic nozzle beam: appearance of the odd-number cluster ions of NO2

1985 ◽  
Vol 121 (3) ◽  
pp. 223-227 ◽  
Author(s):  
Nobuaki Washida ◽  
Hisanori Shinohara ◽  
Umpei Nagashima ◽  
Nobuyuki Nishi
Keyword(s):  
Supersonic Nozzle ◽  
Cluster Ions ◽  
Nozzle Beam ◽  
Supersonic Nozzle Beam

NUMERICAL AND THEORETICAL STUDY OF THE CASIMIR FORCE CORRECTIONS BETWEEN TWO ROUGH SURFACES

2020 ◽  
Vol 27 (08) ◽  
pp. 1950195
Author(s):  
H. HASSANZADEH ◽  
A. A. MASOUDI ◽  
S. HOSSEINABADI ◽  
M. KHORRAMI
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Casimir Force ◽  
Theoretical Study ◽  
Growth Models ◽  
Rough Surfaces ◽  
Surface Relaxation ◽  
Time Step ◽  
Rsos Models

The Casimir force between two rough surfaces grown through statistical growth models is studied, both theoretically and numerically. The models include the random deposition (RD), the random deposition with surface relaxation (RDSR), and the restricted solid-on-solid growth (RSOS). To calculate the Casimir force, the pairwise summation (PWS) method in [Formula: see text] dimensions is used. First, the force between two growing surfaces with RD equations, Edwards–Wilkinson, (EW) and Kardar–Parisi–Zhang (KPZ) equations is theoretically investigated. Then, using the Monte Carlo simulation, the rough surfaces with RD, RDSR, and RSOS models in [Formula: see text] dimensions are simulated in different growth times, and the Casimir force between each pair of rough surfaces in each time step is calculated. The results show that the force between the surfaces increases as the roughness increases.

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