Search results for "Computer simulation"

showing 10 items of 1054 documents

Microscopic approach to the kinetics of pattern formation of charged molecules on surfaces.

2010

A microscopic formalism based on computing many-particle densities is applied to the analysis of the diffusion-controlled kinetics of pattern formation in oppositely charged molecules on surfaces or adsorbed at interfaces with competing long-range Coulomb and short-range Lennard-Jones interactions. Particular attention is paid to the proper molecular treatment of energetic interactions driving pattern formation in inhomogeneous systems. The reverse Monte Carlo method is used to visualize the spatial molecular distribution based on the calculated radial distribution functions (joint correlation functions). We show the formation of charge domains for certain combinations of temperature and dy…

PhysicsKineticsStatic ElectricityPattern formationReverse monte carlo methodsymbols.namesakeMolecular dynamicsDipoleKineticsModels ChemicalChemical physicsQuantum mechanicsCoulombsymbolsMoleculeComputer SimulationColloidsvan der Waals forcePhysical review. E, Statistical, nonlinear, and soft matter physics
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Monte Carlo calculation of dose rate distributions around 192Ir wires.

1997

Monte Carlo calculations of absolute dose rate in liquid water are presented in the form of away-along tables for 1 and 5 cm 192 Ir wires of 0.3 mm diameter. Simulated absolute dose rate values can be used as benchmark data to verify the calculation results of treatment planning systems or directly as input data for treatment planning. Best fit value of attenuation coefficient suitable for use in Sievert-integrals-type calculations has been derived based on Monte Carlo calculation results. For the treatment planning systems that are based on TG43 formalism we have also calculated the required dosimetry parameters.

PhysicsLiquid waterRadiotherapy Planning Computer-AssistedMonte Carlo methodBrachytherapyBiophysicsRadiotherapy DosageGeneral MedicineReference StandardsIridium RadioisotopesBiophysical PhenomenaComputational physicsEvaluation Studies as TopicAttenuation coefficientNeoplasmsDynamic Monte Carlo methodDosimetryHumansComputer SimulationStatistical physicsBenchmark dataDose rateMonte Carlo MethodMedical physics
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Localization-delocalization transition for disordered cubic harmonic lattices.

2012

We study numerically the disorder-induced localization-delocalization phase transitions that occur for mass and spring constant disorder in a three-dimensional cubic lattice with harmonic couplings. We show that, while the phase diagrams exhibit regions of stable and unstable waves, the universality of the transitions is the same for mass and spring constant disorder throughout all the phase boundaries. The combined value for the critical exponent of the localization lengths of $\nu = 1.550^{+0.020}_{-0.017}$ confirms the agreement with the universality class of the standard electronic Anderson model of localization. We further support our investigation with studies of the density of states…

PhysicsModels MolecularPhase transitionCondensed matter physicsMolecular ConformationFOS: Physical sciencesDisordered Systems and Neural Networks (cond-mat.dis-nn)Condensed Matter - Disordered Systems and Neural NetworksRenormalization groupCondensed Matter PhysicsCondensed Matter::Disordered Systems and Neural NetworksPhase TransitionUniversality (dynamical systems)Models ChemicalDensity of statesGeneral Materials ScienceComputer SimulationWave functionCritical exponentAnderson impurity modelPhase diagramJournal of physics. Condensed matter : an Institute of Physics journal
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Compact-envelope bright solitary wave in a DNA double strand

2012

International audience; We study the nonlinear dynamics of a homogeneous DNA chain which is based on site-dependent finite stacking and pairing enthalpies. We introduce an extended nonlinear Schroedinger equation describing the dynamics of modulated waves in DNA model. We obtain envelope bright solitary waves with compact support as a solution. Analytical criteria of existence and stability of this solution are derived. The stability of bright compactons is confirmed by numerical simulations of the exact equations of the lattice. The impact of the fi nite stacking energy is investigated and we show that some of these compact bright solitary waves are very robust, while others decompose quic…

PhysicsModels MolecularStackingMolecular models of DNAExact differential equationDNA01 natural sciences010305 fluids & plasmasNonlinear systemsymbols.namesakeClassical mechanicsModels Chemical[NLIN.NLIN-PS]Nonlinear Sciences [physics]/Pattern Formation and Solitons [nlin.PS]PairingLattice (order)0103 physical sciencessymbolsNucleic Acid ConformationA-DNAComputer Simulation[ NLIN.NLIN-PS ] Nonlinear Sciences [physics]/Pattern Formation and Solitons [nlin.PS]010306 general physicsNonlinear Schrödinger equation
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Diffusion between evolving interfaces

2010

Diffusion in an evolving environment is studied by continuos-time Monte Carlo simulations. Diffusion is modelled by continuos-time random walkers on a lattice, in a dynamic environment provided by bubbles between two one-dimensional interfaces driven symmetrically towards each other. For one-dimensional random walkers constrained by the interfaces, the bubble size distribution domi- nates diffusion. For two-dimensional random walkers, it is also controlled by the topography and dynamics of the interfaces. The results of the one-dimensional case are recovered in the limit where the interfaces are strongly driven. Even with simple hard-core repulsion between the interfaces and the particles, …

PhysicsModels StatisticalSurface PropertiesPhysicsBubbleMonte Carlo methodFOS: Physical sciencesCondensed Matter - Soft Condensed MatterModels TheoreticalCondensed Matter PhysicsDiffusionLattice (order)Materials TestingSoft Condensed Matter (cond-mat.soft)Computer SimulationGeneral Materials ScienceStatistical physicsMonte Carlo MethodAlgorithms
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Cluster growth with long-range interactions

1996

Abstract Growth models in which the morphology depends on interactions of the type V(r) = C r n are presented. The growth algorithms are generalizations of DLA. The particles diffuse on a triangular lattice and eventually either stick to the cluster or are lost. Several processes are simulated in this way: in one case only pure sticking is taken into account, in another case evaporation and rearrangement are also allowed to occur. In the former case (with attractive interactions) the clusters exhibit a highly symmetric shape (a sixfold star) whose detailed structure depends on n , C kT , and time. In the latter case (studied with repulsive dipolar interactions) the tendency to ramification …

PhysicsMonolayersLangmuirRange (particle radiation)Condensed matter physicsRamification (botany)Metals and AlloysEvaporationSurfaces and InterfacesComputer simulationSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsClustersDipoleChemical physicsClusters Computer simulation Surface morphology MonolayersMonolayerMaterials ChemistryCluster (physics)Hexagonal latticeSurface morphology
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Wave Modulations in the Nonlinear Biinductance Transmission Line

2001

Adding dissipative elements to a discrete biinductance transmission line which admits both low frequency (LF) and high frequency (HF) modes, dynamics of a weakly nonlinear modulated wave is investi...

PhysicsNonlinear systemModulational instabilityCondensed matter physicsComputer simulationWave propagationTransmission lineQuantum electrodynamicsDissipative systemGinzburg landau equationGeneral Physics and AstronomyLow frequencyJournal of the Physical Society of Japan
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IMEX Finite Volume Methods for Cloud Simulation

2017

We present new implicit-explicit (IMEX) finite volume schemes for numerical simulation of cloud dynamics. We use weakly compressible equations to describe fluid dynamics and a system of advection-diffusion-reaction equations to model cloud dynamics. In order to efficiently resolve slow dynamics we split the whole nonlinear system in a stiff linear part governing the acoustic and gravitational waves as well as diffusive effects and a non-stiff nonlinear part that models nonlinear advection effects. We use a stiffly accurate second order IMEX scheme for time discretization to approximate the stiff linear operator implicitly and the non-stiff nonlinear operator explicitly. Fast microscale clou…

PhysicsNonlinear systemsymbols.namesakeFinite volume methodComputer simulationDiscretizationCompressibilityFluid dynamicssymbolsApplied mathematicsNavier–Stokes equationsEuler equations
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Magnetized boxes for housing polarized spins in homogeneous fields

2010

Abstract We present novel types of permanently magnetized as well as current powered boxes built from soft-ferromagnetic materials. They provide shielded magnetic fields which are homogeneous within a large fraction of the enclosed volume, thus minimizing size, weight, and costs. For the permanently magnetized solutions, homogenization is achieved either by an optimized distribution of the permanent field sources or by jacketing the field with a soft-ferromagnetic cylindrical shell which is magnetized in parallel to the enclosed field. The latter principle may be applied up to fields of about 0.1 T. With fields of about 1 mT, such boxes are being used for shipping spin-polarized 3 He worldw…

PhysicsNuclear and High Energy PhysicsCondensed matter physicsSpinsBiophysicsMechanicsModels TheoreticalCondensed Matter PhysicsBiochemistryHomogenization (chemistry)Magnetic fieldlaw.inventionMagneticsElectromagnetic FieldsHomogeneouslawShielded cableComputer SimulationSpin LabelsJournal of Magnetic Resonance
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Glow curve analysis of TLD-100H irradiated with radiation of different LET: Comparison between two theoretical method

2006

In the present paper we show the result of study on the thermoluminescent signal of LiF:Mg,Cu,P (TLD-100H) after irradiation with beams of different LET (photons, electrons and protons). Through the analysis of the glow curve it is possible to obtain information on the LET of the radiation beam. To perform this analysis we have deconvoluted the glow curves adopting general order kinetic equation for the description of the peak shape. In addition a numerical simulation has been performed to find a connection among the physical parameters of the model (OTOR) and the parameters of the empirical expression used in the analysis of the experimental data (GOK). The methodology indicate that the ki…

PhysicsNuclear and High Energy PhysicsPhotonComputer simulationTLD-100HElectronRadiationKinetic energyThermoluminescenceLETIrradiationThermoluminescent dosimeterAtomic physicsInstrumentationGOKthermoluminescenceNuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment
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