An Object-Oriented Serial DSMC Simulation Package

NASA Astrophysics Data System (ADS)

Liu, Hongli; Cai, Chunpei

2011-05-01

A newly developed three-dimensional direct simulation Monte Carlo (DSMC) simulation package, named GRASP ("Generalized Rarefied gAs Simulation Package"), is reported in this paper. This package utilizes the concept of simulation engine, many C++ features and software design patterns. The package has an open architecture which can benefit further development and maintenance of the code. In order to reduce the engineering time for three-dimensional models, a hybrid grid scheme, combined with a flexible data structure compiled by C++ language, are implemented in this package. This scheme utilizes a local data structure based on the computational cell to achieve high performance on workstation processors. This data structure allows the DSMC algorithm to be very efficiently parallelized with domain decomposition and it provides much flexibility in terms of grid types. This package can utilize traditional structured, unstructured or hybrid grids within the framework of a single code to model arbitrarily complex geometries and to simulate rarefied gas flows. Benchmark test cases indicate that this package has satisfactory accuracy for complex rarefied gas flows.

Investigation of the High-Energy Oxidation of FiberForm from DSMC Analysis of Molecular Beam Experiments

NASA Technical Reports Server (NTRS)

Borner, A.; Swaminathan-Gopalan, K.; Stephani, Kelly; Poovathingal, S.; Murray, V. J.; Minton, T. K.; Panerai, F.; Mansour, N. N.

2017-01-01

A collaborative effort between the University of Illinois at Urbana-Champaign (UIUC), NASA Ames Research Center (ARC) and Montana State University (MSU) succeeded at developing a new finite-rate carbon oxidation model from molecular beam scattering experiments on vitreous carbon (VC). We now aim to use the direct simulation Monte Carlo (DSMC) code SPARTA to apply the model to each fiber of the porous fibrous Thermal Protection Systems (TPS) material FiberForm (FF). The detailed micro-structure of FF was obtained from X-ray micro-tomography and then used in DSMC. Both experiments and simulations show that the CO/O products ratio increased at all temperatures from VC to FF. We postulate this is due to the larger number of collisions an O atom encounters inside the porous FF material compared to the flat surface of VC. For the simulations, we particularly focused on the lowest and highest temperatures studied experimentally, 1023 K and 1823 K, and found good agreement between the finite-rate DSMC simulations and experiments.

Analysis of Plume Impingement Effects from Orion Crew Service Module Dual Reaction Control System Engine Firings

NASA Technical Reports Server (NTRS)

Prisbell, Andrew; Marichalar, J.; Lumpkin, F.; LeBeau, G.

2010-01-01

Plume impingement effects on the Orion Crew Service Module (CSM) were analyzed for various dual Reaction Control System (RCS) engine firings and various configurations of the solar arrays. The study was performed using a decoupled computational fluid dynamics (CFD) and Direct Simulation Monte Carlo (DSMC) approach. This approach included a single jet plume solution for the R1E RCS engine computed with the General Aerodynamic Simulation Program (GASP) CFD code. The CFD solution was used to create an inflow surface for the DSMC solution based on the Bird continuum breakdown parameter. The DSMC solution was then used to model the dual RCS plume impingement effects on the entire CSM geometry with deployed solar arrays. However, because the continuum breakdown parameter of 0.5 could not be achieved due to geometrical constraints and because high resolution in the plume shock interaction region is desired, a focused DSMC simulation modeling only the plumes and the shock interaction region was performed. This high resolution intermediate solution was then used as the inflow to the larger DSMC solution to obtain plume impingement heating, forces, and moments on the CSM and the solar arrays for a total of 21 cases that were analyzed. The results of these simulations were used to populate the Orion CSM Aerothermal Database.

Comparison of DSMC and CFD Solutions of Fire II Including Radiative Heating

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Johnston, Christopher O.; Lewis, Mark J.

2011-01-01

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. These flows may also contain significant radiative heating. To prepare for these missions, NASA is developing the capability to simulate rarefied, ionized flows and to then calculate the resulting radiative heating to the vehicle's surface. In this study, the DSMC codes DAC and DS2V are used to obtain charge-neutral ionization solutions. NASA s direct simulation Monte Carlo code DAC is currently being updated to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced Quantum-Kinetic chemistry model, and to include electronic energy levels as an additional internal energy mode. The Fire II flight test is used in this study to assess these new capabilities. The 1634 second data point was chosen for comparisons to be made in order to include comparisons to computational fluid dynamics solutions. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid. It is shown that there can be quite a bit of variability in the vibrational temperature inferred from DSMC solutions and that, from how radiative heating is computed, the electronic temperature is much better suited for radiative calculations. To include the radiative portion of heating, the flow-field solutions are post-processed by the non-equilibrium radiation code HARA. Acceptable agreement between CFD and DSMC flow field solutions is demonstrated and the progress of the updates to DAC, along with an appropriate radiative heating solution, are discussed. In addition, future plans to generate more high fidelity radiative heat transfer solutions are discussed.

Particle/Continuum Hybrid Simulation in a Parallel Computing Environment

NASA Technical Reports Server (NTRS)

Baganoff, Donald

1996-01-01

The objective of this study was to modify an existing parallel particle code based on the direct simulation Monte Carlo (DSMC) method to include a Navier-Stokes (NS) calculation so that a hybrid solution could be developed. In carrying out this work, it was determined that the following five issues had to be addressed before extensive program development of a three dimensional capability was pursued: (1) find a set of one-sided kinetic fluxes that are fully compatible with the DSMC method, (2) develop a finite volume scheme to make use of these one-sided kinetic fluxes, (3) make use of the one-sided kinetic fluxes together with DSMC type boundary conditions at a material surface so that velocity slip and temperature slip arise naturally for near-continuum conditions, (4) find a suitable sampling scheme so that the values of the one-sided fluxes predicted by the NS solution at an interface between the two domains can be converted into the correct distribution of particles to be introduced into the DSMC domain, (5) carry out a suitable number of tests to confirm that the developed concepts are valid, individually and in concert for a hybrid scheme.

Particle kinetic simulation of high altitude hypervelocity flight

NASA Technical Reports Server (NTRS)

Haas, Brian L.

1993-01-01

In this grant period, the focus has been on enhancement and application of the direct simulation Monte Carlo (DSMC) particle method for computing hypersonic flows of re-entry vehicles. Enhancement efforts dealt with modeling gas-gas interactions for thermal non-equilibrium relaxation processes and gas-surface interactions for prediction of vehicle surface temperatures. Both are important for application to problems of engineering interest. The code was employed in a parametric study to improve future applications, and in simulations of aeropass maneuvers in support of the Magellan mission. Detailed comparisons between continuum models for internal energy relaxation and DSMC models reveals that several discrepancies exist. These include definitions of relaxation parameters and the methodologies for implementing them in DSMC codes. These issues were clarified and all differences were rectified in a paper (Appendix A) submitted to Physics of Fluids A, featuring several key figures in the DSMC community as co-authors and B. Haas as first author. This material will be presented at the Fluid Dynamics meeting of the American Physical Society on November 21, 1993. The aerodynamics of space vehicles in highly rarefied flows are very sensitive to the vehicle surface temperatures. Rather than require prescribed temperature estimates for spacecraft as is typically done in DSMC methods, a new technique was developed which couples the dynamic surface heat transfer characteristics into the DSMC flow simulation code to compute surface temperatures directly. This model, when applied to thin planar bodies such as solar panels, was described in AIAA Paper No. 93-2765 (Appendix B) and was presented at the Thermophysics Conference in July 1993. The paper has been submitted to the Journal of Thermophysics and Heat Transfer. Application of the DSMC method to problems of practical interest requires a trade off between solution accuracy and computational expense and limitations. A parametric study was performed and reported in AIAA Paper No. 93-2806 (Appendix C) which assessed the accuracy penalties associated with simulations of varying grid resolution and flow domain size. The paper was also presented at the Thermophysics Conference and will be submitted to the journal shortly. Finally, the DSMC code was employed to assess the pitch, yaw, and roll aerodynamics of the Magellan spacecraft during entry into the Venus atmosphere at off-design attitudes. This work was in support of the Magellan aerobraking maneuver of May 25-Aug. 3, 1993. Furthermore, analysis of the roll characteristics of the configuration with canted solar panels was performed in support of the proposed 'Windmill' experiment. Results were reported in AIAA Paper No. 93-3676 (Appendix D) presented at the Atmospheric Flight Mechanics Conference in August 1993, and were submitted to Journal of Spacecraft and Rockets.

Axisymmetric Plume Simulations with NASA's DSMC Analysis Code

NASA Technical Reports Server (NTRS)

Stewart, B. D.; Lumpkin, F. E., III

2012-01-01

A comparison of axisymmetric Direct Simulation Monte Carlo (DSMC) Analysis Code (DAC) results to analytic and Computational Fluid Dynamics (CFD) solutions in the near continuum regime and to 3D DAC solutions in the rarefied regime for expansion plumes into a vacuum is performed to investigate the validity of the newest DAC axisymmetric implementation. This new implementation, based on the standard DSMC axisymmetric approach where the representative molecules are allowed to move in all three dimensions but are rotated back to the plane of symmetry by the end of the move step, has been fully integrated into the 3D-based DAC code and therefore retains all of DAC s features, such as being able to compute flow over complex geometries and to model chemistry. Axisymmetric DAC results for a spherically symmetric isentropic expansion are in very good agreement with a source flow analytic solution in the continuum regime and show departure from equilibrium downstream of the estimated breakdown location. Axisymmetric density contours also compare favorably against CFD results for the R1E thruster while temperature contours depart from equilibrium very rapidly away from the estimated breakdown surface. Finally, axisymmetric and 3D DAC results are in very good agreement over the entire plume region and, as expected, this new axisymmetric implementation shows a significant reduction in computer resources required to achieve accurate simulations for this problem over the 3D simulations.

Nonequilibrium hypersonic flows simulations with asymptotic-preserving Monte Carlo methods

NASA Astrophysics Data System (ADS)

Ren, Wei; Liu, Hong; Jin, Shi

2014-12-01

In the rarefied gas dynamics, the DSMC method is one of the most popular numerical tools. It performs satisfactorily in simulating hypersonic flows surrounding re-entry vehicles and micro-/nano- flows. However, the computational cost is expensive, especially when Kn → 0. Even for flows in the near-continuum regime, pure DSMC simulations require a number of computational efforts for most cases. Albeit several DSMC/NS hybrid methods are proposed to deal with this, those methods still suffer from the boundary treatment, which may cause nonphysical solutions. Filbet and Jin [1] proposed a framework of new numerical methods of Boltzmann equation, called asymptotic preserving schemes, whose computational costs are affordable as Kn → 0. Recently, Ren et al. [2] realized the AP schemes with Monte Carlo methods (AP-DSMC), which have better performance than counterpart methods. In this paper, AP-DSMC is applied in simulating nonequilibrium hypersonic flows. Several numerical results are computed and analyzed to study the efficiency and capability of capturing complicated flow characteristics.

Parallel Fokker–Planck-DSMC algorithm for rarefied gas flow simulation in complex domains at all Knudsen numbers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Küchlin, Stephan, E-mail: kuechlin@ifd.mavt.ethz.ch; Jenny, Patrick

2017-01-01

A major challenge for the conventional Direct Simulation Monte Carlo (DSMC) technique lies in the fact that its computational cost becomes prohibitive in the near continuum regime, where the Knudsen number (Kn)—characterizing the degree of rarefaction—becomes small. In contrast, the Fokker–Planck (FP) based particle Monte Carlo scheme allows for computationally efficient simulations of rarefied gas flows in the low and intermediate Kn regime. The Fokker–Planck collision operator—instead of performing binary collisions employed by the DSMC method—integrates continuous stochastic processes for the phase space evolution in time. This allows for time step and grid cell sizes larger than the respective collisionalmore » scales required by DSMC. Dynamically switching between the FP and the DSMC collision operators in each computational cell is the basis of the combined FP-DSMC method, which has been proven successful in simulating flows covering the whole Kn range. Until recently, this algorithm had only been applied to two-dimensional test cases. In this contribution, we present the first general purpose implementation of the combined FP-DSMC method. Utilizing both shared- and distributed-memory parallelization, this implementation provides the capability for simulations involving many particles and complex geometries by exploiting state of the art computer cluster technologies.« less

NAS Experiences of Porting CM Fortran Codes to HPF on IBM SP2 and SGI Power Challenge

NASA Technical Reports Server (NTRS)

Saini, Subhash

1995-01-01

Current Connection Machine (CM) Fortran codes developed for the CM-2 and the CM-5 represent an important class of parallel applications. Several users have employed CM Fortran codes in production mode on the CM-2 and the CM-5 for the last five to six years, constituting a heavy investment in terms of cost and time. With Thinking Machines Corporation's decision to withdraw from the hardware business and with the decommissioning of many CM-2 and CM-5 machines, the best way to protect the substantial investment in CM Fortran codes is to port the codes to High Performance Fortran (HPF) on highly parallel systems. HPF is very similar to CM Fortran and thus represents a natural transition. Conversion issues involved in porting CM Fortran codes on the CM-5 to HPF are presented. In particular, the differences between data distribution directives and the CM Fortran Utility Routines Library, as well as the equivalent functionality in the HPF Library are discussed. Several CM Fortran codes (Cannon algorithm for matrix-matrix multiplication, Linear solver Ax=b, 1-D convolution for 2-D datasets, Laplace's Equation solver, and Direct Simulation Monte Carlo (DSMC) codes have been ported to Subset HPF on the IBM SP2 and the SGI Power Challenge. Speedup ratios versus number of processors for the Linear solver and DSMC code are presented.

Investigation on a coupled CFD/DSMC method for continuum-rarefied flows

NASA Astrophysics Data System (ADS)

Tang, Zhenyu; He, Bijiao; Cai, Guobiao

2012-11-01

The purpose of the present work is to investigate the coupled CFD/DSMC method using the existing CFD and DSMC codes developed by the authors. The interface between the continuum and particle regions is determined by the gradient-length local Knudsen number. A coupling scheme combining both state-based and flux-based coupling methods is proposed in the current study. Overlapping grids are established between the different grid systems of CFD and DSMC codes. A hypersonic flow over a 2D cylinder has been simulated using the present coupled method. Comparison has been made between the results obtained from both methods, which shows that the coupled CFD/DSMC method can achieve the same precision as the pure DSMC method and obtain higher computational efficiency.

Direct simulation Monte Carlo investigation of the Richtmyer-Meshkov instability

DOE PAGES

Gallis, Michail A.; Koehler, Timothy P.; Torczynski, John R.; ...

2015-08-14

The Rayleigh-Taylor instability (RTI) is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce all qualitative features of the RTI and are in reasonable quantitative agreement with existing theoretical and empirical models in the linear, nonlinear, and self-similar regimes. At late times, the instability is seen to exhibit a self-similar behavior, in agreement with experimental observations. Formore » the conditions simulated, diffusion can influence the initial instability growth significantly.« less

Direct Simulation Monte Carlo Simulations of Low Pressure Semiconductor Plasma Processing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gochberg, L. A.; Ozawa, T.; Deng, H.

2008-12-31

The two widely used plasma deposition tools for semiconductor processing are Ionized Metal Physical Vapor Deposition (IMPVD) of metals using either planar or hollow cathode magnetrons (HCM), and inductively-coupled plasma (ICP) deposition of dielectrics in High Density Plasma Chemical Vapor Deposition (HDP-CVD) reactors. In these systems, the injected neutral gas flows are generally in the transonic to supersonic flow regime. The Hybrid Plasma Equipment Model (HPEM) has been developed and is strategically and beneficially applied to the design of these tools and their processes. For the most part, the model uses continuum-based techniques, and thus, as pressures decrease below 10more » mTorr, the continuum approaches in the model become questionable. Modifications have been previously made to the HPEM to significantly improve its accuracy in this pressure regime. In particular, the Ion Monte Carlo Simulation (IMCS) was added, wherein a Monte Carlo simulation is used to obtain ion and neutral velocity distributions in much the same way as in direct simulation Monte Carlo (DSMC). As a further refinement, this work presents the first steps towards the adaptation of full DSMC calculations to replace part of the flow module within the HPEM. Six species (Ar, Cu, Ar*, Cu*, Ar{sup +}, and Cu{sup +}) are modeled in DSMC. To couple SMILE as a module to the HPEM, source functions for species, momentum and energy from plasma sources will be provided by the HPEM. The DSMC module will then compute a quasi-converged flow field that will provide neutral and ion species densities, momenta and temperatures. In this work, the HPEM results for a hollow cathode magnetron (HCM) IMPVD process using the Boltzmann distribution are compared with DSMC results using portions of those HPEM computations as an initial condition.« less

Lattice Boltzmann accelerated direct simulation Monte Carlo for dilute gas flow simulations.

PubMed

Di Staso, G; Clercx, H J H; Succi, S; Toschi, F

2016-11-13

Hybrid particle-continuum computational frameworks permit the simulation of gas flows by locally adjusting the resolution to the degree of non-equilibrium displayed by the flow in different regions of space and time. In this work, we present a new scheme that couples the direct simulation Monte Carlo (DSMC) with the lattice Boltzmann (LB) method in the limit of isothermal flows. The former handles strong non-equilibrium effects, as they typically occur in the vicinity of solid boundaries, whereas the latter is in charge of the bulk flow, where non-equilibrium can be dealt with perturbatively, i.e. according to Navier-Stokes hydrodynamics. The proposed concurrent multiscale method is applied to the dilute gas Couette flow, showing major computational gains when compared with the full DSMC scenarios. In addition, it is shown that the coupling with LB in the bulk flow can speed up the DSMC treatment of the Knudsen layer with respect to the full DSMC case. In other words, LB acts as a DSMC accelerator.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

Shock-Wave/Boundary-Layer Interactions in Hypersonic Low Density Flows

NASA Technical Reports Server (NTRS)

Moss, James N.; Olejniczak, Joseph

2004-01-01

Results of numerical simulations of Mach 10 air flow over a hollow cylinder-flare and a double-cone are presented where viscous effects are significant. The flow phenomena include shock-shock and shock- boundary-layer interactions with accompanying flow separation, recirculation, and reattachment. The purpose of this study is to promote an understanding of the fundamental gas dynamics resulting from such complex interactions and to clarify the requirements for meaningful simulations of such flows when using the direct simulation Monte Carlo (DSMC) method. Particular emphasis is placed on the sensitivity of computed results to grid resolution. Comparisons of the DSMC results for the hollow cylinder-flare (30 deg.) configuration are made with the results of experimental measurements conducted in the ONERA RSCh wind tunnel for heating, pressure, and the extent of separation. Agreement between computations and measurements for various quantities is good except that for pressure. For the same flow conditions, the double- cone geometry (25 deg.- 65 deg.) produces much stronger interactions, and these interactions are investigated numerically using both DSMC and Navier-Stokes codes. For the double-cone computations, a two orders of magnitude variation in free-stream density (with Reynolds numbers from 247 to 24,7 19) is investigated using both computational methods. For this range of flow conditions, the computational results are in qualitative agreement for the extent of separation with the DSMC method always predicting a smaller separation region. Results from the Navier-Stokes calculations suggest that the flow for the highest density double-cone case may be unsteady; however, the DSMC solution does not show evidence of unsteadiness.

Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gallis, M. A.; Koehler, T. P.; Torczynski, J. R.

In this paper, the Rayleigh-Taylor instability (RTI) is investigated using the direct simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce many qualitative features of the growth of the mixing layer and are in reasonable quantitative agreement with theoretical and empirical models in the linear, nonlinear, and self-similar regimes. In some of the simulations at late times, the instability enters themore » self-similar regime, in agreement with experimental observations. Finally, for the conditions simulated, diffusion can influence the initial instability growth significantly.« less

Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability

DOE PAGES

Gallis, M. A.; Koehler, T. P.; Torczynski, J. R.; ...

2016-08-31

In this paper, the Rayleigh-Taylor instability (RTI) is investigated using the direct simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce many qualitative features of the growth of the mixing layer and are in reasonable quantitative agreement with theoretical and empirical models in the linear, nonlinear, and self-similar regimes. In some of the simulations at late times, the instability enters themore » self-similar regime, in agreement with experimental observations. Finally, for the conditions simulated, diffusion can influence the initial instability growth significantly.« less

Investigation of the DSMC Approach for Ion/neutral Species in Modeling Low Pressure Plasma Reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deng Hao; Li, Z.; Levin, D.

2011-05-20

Low pressure plasma reactors are important tools for ionized metal physical vapor deposition (IMPVD), a semiconductor plasma processing technology that is increasingly being applied to deposit Cu seed layers on semiconductor surfaces of trenches and vias with the high aspect ratio (e.g., >5:1). A large fraction of ionized atoms produced by the IMPVD process leads to an anisotropic deposition flux towards the substrate, a feature which is critical for attaining a void-free and uniform fill. Modeling such devices is challenging due to their high plasma density, reactive environment, but low gas pressure. A modular code developed by the Computational Opticalmore » and Discharge Physics Group, the Hybrid Plasma Equipment Model (HPEM), has been successfully applied to the numerical investigations of IMPVD by modeling a hollow cathode magnetron (HCM) device. However, as the development of semiconductor devices progresses towards the lower pressure regime (e.g., <5 mTorr), the breakdown of the continuum assumption limits the application of the fluid model in HPEM and suggests the incorporation of the kinetic method, such as the direct simulation Monte Carlo (DSMC), in the plasma simulation.The DSMC method, which solves the Boltzmann equation of transport, has been successfully applied in modeling micro-fluidic flows in MEMS devices with low Reynolds numbers, a feature shared with the HCM. Modeling of the basic physical and chemical processes for ion/neutral species in plasma have been developed and implemented in DSMC, which include ion particle motion due to the Lorentz force, electron impact reactions, charge exchange reactions, and charge recombination at the surface. The heating of neutrals due to collisions with ions and the heating of ions due to the electrostatic field will be shown to be captured by the DSMC simulations. In this work, DSMC calculations were coupled with the modules from HPEM so that the plasma can be self-consistently solved. Differences in the Ar results, the dominant species in the reactor, produced by the DSMC-HPEM coupled simulation will be shown in comparison with the original HPEM results. The effects of the DSMC calculations for ion/neutral species on HPEM plasma simulation will be further analyzed.« less

All-Particle Multiscale Computation of Hypersonic Rarefied Flow

NASA Astrophysics Data System (ADS)

Jun, E.; Burt, J. M.; Boyd, I. D.

2011-05-01

This study examines a new hybrid particle scheme used as an alternative means of multiscale flow simulation. The hybrid particle scheme employs the direct simulation Monte Carlo (DSMC) method in rarefied flow regions and the low diffusion (LD) particle method in continuum flow regions. The numerical procedures of the low diffusion particle method are implemented within an existing DSMC algorithm. The performance of the LD-DSMC approach is assessed by studying Mach 10 nitrogen flow over a sphere with a global Knudsen number of 0.002. The hybrid scheme results show good overall agreement with results from standard DSMC and CFD computation. Subcell procedures are utilized to improve computational efficiency and reduce sensitivity to DSMC cell size in the hybrid scheme. This makes it possible to perform the LD-DSMC simulation on a much coarser mesh that leads to a significant reduction in computation time.

Modelling of electronic excitation and radiation in the Direct Simulation Monte Carlo Macroscopic Chemistry Method

NASA Astrophysics Data System (ADS)

Goldsworthy, M. J.

2012-10-01

One of the most useful tools for modelling rarefied hypersonic flows is the Direct Simulation Monte Carlo (DSMC) method. Simulator particle movement and collision calculations are combined with statistical procedures to model thermal non-equilibrium flow-fields described by the Boltzmann equation. The Macroscopic Chemistry Method for DSMC simulations was developed to simplify the inclusion of complex thermal non-equilibrium chemistry. The macroscopic approach uses statistical information which is calculated during the DSMC solution process in the modelling procedures. Here it is shown how inclusion of macroscopic information in models of chemical kinetics, electronic excitation, ionization, and radiation can enhance the capabilities of DSMC to model flow-fields where a range of physical processes occur. The approach is applied to the modelling of a 6.4 km/s nitrogen shock wave and results are compared with those from existing shock-tube experiments and continuum calculations. Reasonable agreement between the methods is obtained. The quality of the comparison is highly dependent on the set of vibrational relaxation and chemical kinetic parameters employed.

Development of a Detailed Surface Chemistry Framework in DSMC

NASA Technical Reports Server (NTRS)

Swaminathan-Gopalan, K.; Borner, A.; Stephani, K. A.

2017-01-01

Many of the current direct simulation Monte Carlo (DSMC) codes still employ only simple surface catalysis models. These include only basic mechanisms such as dissociation, recombination, and exchange reactions, without any provision for adsorption and finite rate kinetics. Incorporating finite rate chemistry at the surface is increasingly becoming a necessity for various applications such as high speed re-entry flows over thermal protection systems (TPS), micro-electro-mechanical systems (MEMS), surface catalysis, etc. In the recent years, relatively few works have examined finite-rate surface reaction modeling using the DSMC method.In this work, a generalized finite-rate surface chemistry framework incorporating a comprehensive list of reaction mechanisms is developed and implemented into the DSMC solver SPARTA. The various mechanisms include adsorption, desorption, Langmuir-Hinshelwood (LH), Eley-Rideal (ER), Collision Induced (CI), condensation, sublimation, etc. The approach is to stochastically model the various competing reactions occurring on a set of active sites. Both gas-surface (e.g., ER, CI) and pure-surface (e.g., LH, desorption) reaction mechanisms are incorporated. The reaction mechanisms could also be catalytic or surface altering based on the participation of the bulk-phase species (e.g., bulk carbon atoms). Marschall and MacLean developed a general formulation in which multiple phases and surface sites are used and we adopt a similar convention in the current work. Microscopic parameters of reaction probabilities (for gas-surface reactions) and frequencies (for pure-surface reactions) that are require for DSMC are computed from the surface properties and macroscopic parameters such as rate constants, sticking coefficients, etc. The energy and angular distributions of the products are decided based on the reaction type and input parameters. Thus, the user has the capability to model various surface reactions via user-specified reaction rate constants, surface properties and parameters.

Extension of the Viscous Collision Limiting Direct Simulation Monte Carlo Technique to Multiple Species

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Burt, Jonathan M.

2016-01-01

There are many flows fields that span a wide range of length scales where regions of both rarefied and continuum flow exist and neither direct simulation Monte Carlo (DSMC) nor computational fluid dynamics (CFD) provide the appropriate solution everywhere. Recently, a new viscous collision limited (VCL) DSMC technique was proposed to incorporate effects of physical diffusion into collision limiter calculations to make the low Knudsen number regime normally limited to CFD more tractable for an all-particle technique. This original work had been derived for a single species gas. The current work extends the VCL-DSMC technique to gases with multiple species. Similar derivations were performed to equate numerical and physical transport coefficients. However, a more rigorous treatment of determining the mixture viscosity is applied. In the original work, consideration was given to internal energy non-equilibrium, and this is also extended in the current work to chemical non-equilibrium.

DSMC simulations of vapor transport toward development of the lithium vapor box divertor concept

NASA Astrophysics Data System (ADS)

Jagoe, Christopher; Schwartz, Jacob; Goldston, Robert

2016-10-01

The lithium vapor divertor box concept attempts to achieve volumetric dissipation of the high heat efflux from a fusion power system. The vapor extracts the heat of the incoming plasma by ionization and radiation, while remaining localized in the vapor box due to differential pumping based on rapid condensation. Preliminary calculations with lithium vapor at densities appropriate for an NSTX-U-scale machine give Knudsen numbers between 0.01 and 1, outside both the range of continuum fluid dynamics and of collisionless Monte Carlo. The direct-simulation Monte Carlo (DSMC) method, however, can simulate rarefied gas flows in this regime. Using the solver contained in the OpenFOAM package, pressure-driven flows of water vapor will be analyzed. The use of water vapor in the relevant range of Knudsen number allows for a flexible similarity experiment to verify the reliability of the code before moving to tests with lithium. The simulation geometry consists of chains of boxes on a temperature gradient, connected by slots with widths that are a representative fraction of the dimensions of the box. We expect choked flow, sonic shocks, and order-of-magnitude pressure and density drops from box to box, but this expectation will be tested in the simulation and then experiment. This work is supported by the Princeton Environmental Institute.

Study of Plume Impingement Effects in the Lunar Lander Environment

NASA Technical Reports Server (NTRS)

Marichalar, Jeremiah; Prisbell, A.; Lumpkin, F.; LeBeau, G.

2010-01-01

Plume impingement effects from the descent and ascent engine firings of the Lunar Lander were analyzed in support of the Lunar Architecture Team under the Constellation Program. The descent stage analysis was performed to obtain shear and pressure forces on the lunar surface as well as velocity and density profiles in the flow field in an effort to understand lunar soil erosion and ejected soil impact damage which was analyzed as part of a separate study. A CFD/DSMC decoupled methodology was used with the Bird continuum breakdown parameter to distinguish the continuum flow from the rarefied flow. The ascent stage analysis was performed to ascertain the forces and moments acting on the Lunar Lander Ascent Module due to the firing of the main engine on take-off. The Reacting and Multiphase Program (RAMP) method of characteristics (MOC) code was used to model the continuum region of the nozzle plume, and the Direct Simulation Monte Carlo (DSMC) Analysis Code (DAC) was used to model the impingement results in the rarefied region. The ascent module (AM) was analyzed for various pitch and yaw rotations and for various heights in relation to the descent module (DM). For the ascent stage analysis, the plume inflow boundary was located near the nozzle exit plane in a region where the flow number density was large enough to make the DSMC solution computationally expensive. Therefore, a scaling coefficient was used to make the DSMC solution more computationally manageable. An analysis of the effectiveness of this scaling technique was performed by investigating various scaling parameters for a single height and rotation of the AM. Because the inflow boundary was near the nozzle exit plane, another analysis was performed investigating three different inflow contours to determine the effects of the flow expansion around the nozzle lip on the final plume impingement results.

Vectorization of a particle code used in the simulation of rarefied hypersonic flow

NASA Technical Reports Server (NTRS)

Baganoff, D.

1990-01-01

A limitation of the direct simulation Monte Carlo (DSMC) method is that it does not allow efficient use of vector architectures that predominate in current supercomputers. Consequently, the problems that can be handled are limited to those of one- and two-dimensional flows. This work focuses on a reformulation of the DSMC method with the objective of designing a procedure that is optimized to the vector architectures found on machines such as the Cray-2. In addition, it focuses on finding a better balance between algorithmic complexity and the total number of particles employed in a simulation so that the overall performance of a particle simulation scheme can be greatly improved. Simulations of the flow about a 3D blunt body are performed with 10 to the 7th particles and 4 x 10 to the 5th mesh cells. Good statistics are obtained with time averaging over 800 time steps using 4.5 h of Cray-2 single-processor CPU time.

A 3-D Coupled CFD-DSMC Solution Method With Application to the Mars Sample Return Orbiter

NASA Technical Reports Server (NTRS)

Glass, Christopher E.; Gnoffo, Peter A.

2000-01-01

A method to obtain coupled Computational Fluid Dynamics-Direct Simulation Monte Carlo (CFD-DSMC), 3-D flow field solutions for highly blunt bodies at low incidence is presented and applied to one concept of the Mars Sample Return Orbiter vehicle as a demonstration of the technique. CFD is used to solve the high-density blunt forebody flow defining an inflow boundary condition for a DSMC solution of the afterbody wake flow. By combining the two techniques in flow regions where most applicable, the entire mixed flow field is modeled in an appropriate manner.

Validation of DSMC results for chemically nonequilibrium air flows against measurements of the electron number density in RAM-C II flight experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shevyrin, Alexander A.; Vashchenkov, Pavel V.; Bondar, Yevgeniy A.

An ionized flow around the RAM C-II vehicle in the range of altitudes from 73 to 81 km is studied by the Direct Simulation Monte Carlo (DSMC) method with three models of chemical reactions. It is demonstrated that vibration favoring in reactions of dissociation of neutral molecules affects significantly the predicted values of plasma density in the shock layer, and good agreement between the results of experiments and DSMC computations can be achieved in terms of the plasma density as a function of the flight altitude.

DSMC Simulation and Experimental Validation of Shock Interaction in Hypersonic Low Density Flow

PubMed Central

2014-01-01

Direct simulation Monte Carlo (DSMC) of shock interaction in hypersonic low density flow is developed. Three collision molecular models, including hard sphere (HS), variable hard sphere (VHS), and variable soft sphere (VSS), are employed in the DSMC study. The simulations of double-cone and Edney's type IV hypersonic shock interactions in low density flow are performed. Comparisons between DSMC and experimental data are conducted. Investigation of the double-cone hypersonic flow shows that three collision molecular models can predict the trend of pressure coefficient and the Stanton number. HS model shows the best agreement between DSMC simulation and experiment among three collision molecular models. Also, it shows that the agreement between DSMC and experiment is generally good for HS and VHS models in Edney's type IV shock interaction. However, it fails in the VSS model. Both double-cone and Edney's type IV shock interaction simulations show that the DSMC errors depend on the Knudsen number and the models employed for intermolecular interaction. With the increase in the Knudsen number, the DSMC error is decreased. The error is the smallest in HS compared with those in the VHS and VSS models. When the Knudsen number is in the level of 10−4, the DSMC errors, for pressure coefficient, the Stanton number, and the scale of interaction region, are controlled within 10%. PMID:24672360

State resolved vibrational relaxation modeling for strongly nonequilibrium flows

NASA Astrophysics Data System (ADS)

Boyd, Iain D.; Josyula, Eswar

2011-05-01

Vibrational relaxation is an important physical process in hypersonic flows. Activation of the vibrational mode affects the fundamental thermodynamic properties and finite rate relaxation can reduce the degree of dissociation of a gas. Low fidelity models of vibrational activation employ a relaxation time to capture the process at a macroscopic level. High fidelity, state-resolved models have been developed for use in continuum gas dynamics simulations based on computational fluid dynamics (CFD). By comparison, such models are not as common for use with the direct simulation Monte Carlo (DSMC) method. In this study, a high fidelity, state-resolved vibrational relaxation model is developed for the DSMC technique. The model is based on the forced harmonic oscillator approach in which multi-quantum transitions may become dominant at high temperature. Results obtained for integrated rate coefficients from the DSMC model are consistent with the corresponding CFD model. Comparison of relaxation results obtained with the high-fidelity DSMC model shows significantly less excitation of upper vibrational levels in comparison to the standard, lower fidelity DSMC vibrational relaxation model. Application of the new DSMC model to a Mach 7 normal shock wave in carbon monoxide provides better agreement with experimental measurements than the standard DSMC relaxation model.

Particle behavior simulation in thermophoresis phenomena by direct simulation Monte Carlo method

NASA Astrophysics Data System (ADS)

Wada, Takao

2014-07-01

A particle motion considering thermophoretic force is simulated by using direct simulation Monte Carlo (DSMC) method. Thermophoresis phenomena, which occur for a particle size of 1 μm, are treated in this paper. The problem of thermophoresis simulation is computation time which is proportional to the collision frequency. Note that the time step interval becomes much small for the simulation considering the motion of large size particle. Thermophoretic forces calculated by DSMC method were reported, but the particle motion was not computed because of the small time step interval. In this paper, the molecule-particle collision model, which computes the collision between a particle and multi molecules in a collision event, is considered. The momentum transfer to the particle is computed with a collision weight factor, where the collision weight factor means the number of molecules colliding with a particle in a collision event. The large time step interval is adopted by considering the collision weight factor. Furthermore, the large time step interval is about million times longer than the conventional time step interval of the DSMC method when a particle size is 1 μm. Therefore, the computation time becomes about one-millionth. We simulate the graphite particle motion considering thermophoretic force by DSMC-Neutrals (Particle-PLUS neutral module) with above the collision weight factor, where DSMC-Neutrals is commercial software adopting DSMC method. The size and the shape of the particle are 1 μm and a sphere, respectively. The particle-particle collision is ignored. We compute the thermophoretic forces in Ar and H2 gases of a pressure range from 0.1 to 100 mTorr. The results agree well with Gallis' analytical results. Note that Gallis' analytical result for continuum limit is the same as Waldmann's result.

FDDO and DSMC analyses of rarefied gas flow through 2D nozzles

NASA Technical Reports Server (NTRS)

Chung, Chan-Hong; De Witt, Kenneth J.; Jeng, Duen-Ren; Penko, Paul F.

1992-01-01

Two different approaches, the finite-difference method coupled with the discrete-ordinate method (FDDO), and the direct-simulation Monte Carlo (DSMC) method, are used in the analysis of the flow of a rarefied gas expanding through a two-dimensional nozzle and into a surrounding low-density environment. In the FDDO analysis, by employing the discrete-ordinate method, the Boltzmann equation simplified by a model collision integral is transformed to a set of partial differential equations which are continuous in physical space but are point functions in molecular velocity space. The set of partial differential equations are solved by means of a finite-difference approximation. In the DSMC analysis, the variable hard sphere model is used as a molecular model and the no time counter method is employed as a collision sampling technique. The results of both the FDDO and the DSMC methods show good agreement. The FDDO method requires less computational effort than the DSMC method by factors of 10 to 40 in CPU time, depending on the degree of rarefaction.

Implementation of a vibrationally linked chemical reaction model for DSMC

NASA Technical Reports Server (NTRS)

Carlson, A. B.; Bird, Graeme A.

1994-01-01

A new procedure closely linking dissociation and exchange reactions in air to the vibrational levels of the diatomic molecules has been implemented in both one- and two-dimensional versions of Direct Simulation Monte Carlo (DSMC) programs. The previous modeling of chemical reactions with DSMC was based on the continuum reaction rates for the various possible reactions. The new method is more closely related to the actual physics of dissociation and is more appropriate to the particle nature of DSMC. Two cases are presented: the relaxation to equilibrium of undissociated air initially at 10,000 K, and the axisymmetric calculation of shuttle forebody heating during reentry at 92.35 km and 7500 m/s. Although reaction rates are not used in determining the dissociations or exchange reactions, the new method produces rates which agree astonishingly well with the published rates derived from experiment. The results for gas properties and surface properties also agree well with the results produced by earlier DSMC models, equilibrium air calculations, and experiment.

Recommended direct simulation Monte Carlo collision model parameters for modeling ionized air transport processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swaminathan-Gopalan, Krishnan; Stephani, Kelly A., E-mail: ksteph@illinois.edu

2016-02-15

A systematic approach for calibrating the direct simulation Monte Carlo (DSMC) collision model parameters to achieve consistency in the transport processes is presented. The DSMC collision cross section model parameters are calibrated for high temperature atmospheric conditions by matching the collision integrals from DSMC against ab initio based collision integrals that are currently employed in the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA) and Data Parallel Line Relaxation (DPLR) high temperature computational fluid dynamics solvers. The DSMC parameter values are computed for the widely used Variable Hard Sphere (VHS) and the Variable Soft Sphere (VSS) models using the collision-specific pairing approach.more » The recommended best-fit VHS/VSS parameter values are provided over a temperature range of 1000-20 000 K for a thirteen-species ionized air mixture. Use of the VSS model is necessary to achieve consistency in transport processes of ionized gases. The agreement of the VSS model transport properties with the transport properties as determined by the ab initio collision integral fits was found to be within 6% in the entire temperature range, regardless of the composition of the mixture. The recommended model parameter values can be readily applied to any gas mixture involving binary collisional interactions between the chemical species presented for the specified temperature range.« less

A DSMC Study of Low Pressure Argon Discharge

NASA Astrophysics Data System (ADS)

Hash, David; Meyyappan, M.

1997-10-01

Work toward a self-consistent plasma simulation using the DSMC method for examination of the flowfields of low-pressure high density plasma reactors is presented. Presently, DSMC simulations for these applications involve either treating the electrons as a fluid or imposing experimentally determined values for the electron number density profile. In either approach, the electrons themselves are not physically simulated. Self-consistent plasma DSMC simulations have been conducted for aerospace applications but at a severe computational cost due in part to the scalar architectures on which the codes were employed. The present work attempts to conduct such simulations at a more reasonable cost using a plasma version of the object-oriented parallel Cornell DSMC code, MONACO, on an IBM SP-2. Due the availability of experimental data, the GEC reference cell is chosen to conduct preliminary investigations. An argon discharge is examined thus affording a simple chemistry set with eight gas-phase reactions and five species: Ar, Ar^+, Ar^*, Ar_2, and e where Ar^* is a metastable.

Extension of a Kinetic Approach to Chemical Reactions to Electronic Energy Levels and Reactions Involving Charged Species with Application to DSMC Simulations

NASA Technical Reports Server (NTRS)

Liechty, Derek S.

2014-01-01

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for near-equilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion.

Transient Macroscopic Chemistry in the DSMC Method

NASA Astrophysics Data System (ADS)

Goldsworthy, M. J.; Macrossan, M. N.; Abdel-Jawad, M.

2008-12-01

In the Direct Simulation Monte Carlo method, a combination of statistical and deterministic procedures applied to a finite number of `simulator' particles are used to model rarefied gas-kinetic processes. Traditionally, chemical reactions are modelled using information from specific colliding particle pairs. In the Macroscopic Chemistry Method (MCM), the reactions are decoupled from the specific particle pairs selected for collisions. Information from all of the particles within a cell is used to determine a reaction rate coefficient for that cell. MCM has previously been applied to steady flow DSMC simulations. Here we show how MCM can be used to model chemical kinetics in DSMC simulations of unsteady flow. Results are compared with a collision-based chemistry procedure for two binary reactions in a 1-D unsteady shock-expansion tube simulation and during the unsteady development of 2-D flow through a cavity. For the shock tube simulation, close agreement is demonstrated between the two methods for instantaneous, ensemble-averaged profiles of temperature and species mole fractions. For the cavity flow, a high degree of thermal non-equilibrium is present and non-equilibrium reaction rate correction factors are employed in MCM. Very close agreement is demonstrated for ensemble averaged mole fraction contours predicted by the particle and macroscopic methods at three different flow-times. A comparison of the accumulated number of net reactions per cell shows that both methods compute identical numbers of reaction events. For the 2-D flow, MCM required similar CPU and memory resources to the particle chemistry method. The Macroscopic Chemistry Method is applicable to any general DSMC code using any viscosity or non-reacting collision models and any non-reacting energy exchange models. MCM can be used to implement any reaction rate formulations, whether these be from experimental or theoretical studies.

Plume Impingement to the Lunar Surface: A Challenging Problem for DSMC

NASA Technical Reports Server (NTRS)

Lumpkin, Forrest; Marichalar, Jermiah; Piplica, Anthony

2007-01-01

The President's Vision for Space Exploration calls for the return of human exploration of the Moon. The plans are ambitious and call for the creation of a lunar outpost. Lunar Landers will therefore be required to land near predeployed hardware, and the dust storm created by the Lunar Lander's plume impingement to the lunar surface presents a hazard. Knowledge of the number density, size distribution, and velocity of the grains in the dust cloud entrained into the flow is needing to develop mitigation strategies. An initial step to acquire such knowledge is simulating the associated plume impingement flow field. The following paper presents results from a loosely coupled continuum flow solver/Direct Simulation Monte Carlo (DSMC) technique for simulating the plume impingement of the Apollo Lunar module on the lunar surface. These cases were chosen for initial study to allow for comparison with available Apollo video. The relatively high engine thrust and the desire to simulate interesting cases near touchdown result in flow that is nearly entirely continuum. The DSMC region of the flow field was simulated using NASA's DSMC Analysis Code (DAC) and must begin upstream of the impingement shock for the loosely coupled technique to succeed. It was therefore impossible to achieve mean free path resolution with a reasonable number of molecules (say 100 million) as is shown. In order to mitigate accuracy and performance issues when using such large cells, advanced techniques such as collision limiting and nearest neighbor collisions were employed. The final paper will assess the benefits and shortcomings of such techniques. In addition, the effects of plume orientation, plume altitude, and lunar topography, such as craters, on the flow field, the surface pressure distribution, and the surface shear stress distribution are presented.

Automatic mesh refinement and parallel load balancing for Fokker-Planck-DSMC algorithm

NASA Astrophysics Data System (ADS)

Küchlin, Stephan; Jenny, Patrick

2018-06-01

Recently, a parallel Fokker-Planck-DSMC algorithm for rarefied gas flow simulation in complex domains at all Knudsen numbers was developed by the authors. Fokker-Planck-DSMC (FP-DSMC) is an augmentation of the classical DSMC algorithm, which mitigates the near-continuum deficiencies in terms of computational cost of pure DSMC. At each time step, based on a local Knudsen number criterion, the discrete DSMC collision operator is dynamically switched to the Fokker-Planck operator, which is based on the integration of continuous stochastic processes in time, and has fixed computational cost per particle, rather than per collision. In this contribution, we present an extension of the previous implementation with automatic local mesh refinement and parallel load-balancing. In particular, we show how the properties of discrete approximations to space-filling curves enable an efficient implementation. Exemplary numerical studies highlight the capabilities of the new code.

Evaluation of nonequilibrium boundary conditions for hypersonic rarefied gas flows

NASA Astrophysics Data System (ADS)

Le, N. T. P.; Greenshields, Ch. J.; Reese, J. M.

2012-01-01

A new Computational Fluid Dynamics (CFD) solver for high-speed viscous §ows in the OpenFOAM code is validated against published experimental data and Direct Simulation Monte Carlo (DSMC) results. The laminar §at plate and circular cylinder cases are studied for Mach numbers, Ma, ranging from 6 to 12.7, and with argon and nitrogen as working gases. Simulation results for the laminar §at plate cases show that the combination of accommodation coefficient values σu = 0.7 and σT = 1.0 in the Maxwell/Smoluchowski conditions, and the coefficient values A1 = 1.5 and A2 = 1.0 in the second-order velocity slip condition, give best agreement with experimental data of surface pressure. The values σu = 0.7 and σT = 1.0 also give good agreement with DSMC data of surface pressure at the stagnation point in the circular cylinder case at Kn = 0.25. The Langmuir surface adsorption condition is also tested for the laminar §at plate case, but initial results were not as good as the Maxwell/Smoluchowski boundary conditions.

Predicting Flows of Rarefied Gases

NASA Technical Reports Server (NTRS)

LeBeau, Gerald J.; Wilmoth, Richard G.

2005-01-01

DSMC Analysis Code (DAC) is a flexible, highly automated, easy-to-use computer program for predicting flows of rarefied gases -- especially flows of upper-atmospheric, propulsion, and vented gases impinging on spacecraft surfaces. DAC implements the direct simulation Monte Carlo (DSMC) method, which is widely recognized as standard for simulating flows at densities so low that the continuum-based equations of computational fluid dynamics are invalid. DAC enables users to model complex surface shapes and boundary conditions quickly and easily. The discretization of a flow field into computational grids is automated, thereby relieving the user of a traditionally time-consuming task while ensuring (1) appropriate refinement of grids throughout the computational domain, (2) determination of optimal settings for temporal discretization and other simulation parameters, and (3) satisfaction of the fundamental constraints of the method. In so doing, DAC ensures an accurate and efficient simulation. In addition, DAC can utilize parallel processing to reduce computation time. The domain decomposition needed for parallel processing is completely automated, and the software employs a dynamic load-balancing mechanism to ensure optimal parallel efficiency throughout the simulation.

Aerodynamic characterization of the jet of an arc wind tunnel

NASA Astrophysics Data System (ADS)

Zuppardi, Gennaro; Esposito, Antonio

2016-11-01

It is well known that, due to a very aggressive environment and to a rather high rarefaction level of the arc wind tunnel jet, the measurement of fluid-dynamic parameters is difficult. For this reason, the aerodynamic characterization of the jet relies also on computer codes, simulating the operation of the tunnel. The present authors already used successfully such a kind of computing procedure for the tests in the arc wind tunnel (SPES) in Naples (Italy). In the present work an improved procedure is proposed. Like the former procedure also the present procedure relies on two codes working in tandem: 1) one-dimensional code simulating the inviscid and thermally not-conducting flow field in the torch, in the mix-chamber and in the nozzle up to the position, along the nozzle axis, of the continuum breakdown, 2) Direct Simulation Monte Carlo (DSMC) code simulating the flow field in the remaining part of the nozzle. In the present procedure, the DSMC simulation includes the simulation both in the nozzle and in the test chamber. An interesting problem, considered in this paper by means of the present procedure, has been the simulation of the flow field around a Pitot tube and of the related measurement of the stagnation pressure. The measured stagnation pressure, under rarefied conditions, may be even four times the theoretical value. Therefore a substantial correction has to be applied to the measured pressure. In the present paper a correction factor for the stagnation pressure measured in SPES is proposed. The analysis relies on twelve tests made in SPES.

Aspects of GPU perfomance in algorithms with random memory access

NASA Astrophysics Data System (ADS)

Kashkovsky, Alexander V.; Shershnev, Anton A.; Vashchenkov, Pavel V.

2017-10-01

The numerical code for solving the Boltzmann equation on the hybrid computational cluster using the Direct Simulation Monte Carlo (DSMC) method showed that on Tesla K40 accelerators computational performance drops dramatically with increase of percentage of occupied GPU memory. Testing revealed that memory access time increases tens of times after certain critical percentage of memory is occupied. Moreover, it seems to be the common problem of all NVidia's GPUs arising from its architecture. Few modifications of the numerical algorithm were suggested to overcome this problem. One of them, based on the splitting the memory into "virtual" blocks, resulted in 2.5 times speed up.

Low-Density Nozzle Flow by the Direct Simulation Monte Carlo and Continuum Methods

NASA Technical Reports Server (NTRS)

Chung, Chang-Hong; Kim, Sku C.; Stubbs, Robert M.; Dewitt, Kenneth J.

1994-01-01

Two different approaches, the direct simulation Monte Carlo (DSMC) method based on molecular gasdynamics, and a finite-volume approximation of the Navier-Stokes equations, which are based on continuum gasdynamics, are employed in the analysis of a low-density gas flow in a small converging-diverging nozzle. The fluid experiences various kinds of flow regimes including continuum, slip, transition, and free-molecular. Results from the two numerical methods are compared with Rothe's experimental data, in which density and rotational temperature variations along the centerline and at various locations inside a low-density nozzle were measured by the electron-beam fluorescence technique. The continuum approach showed good agreement with the experimental data as far as density is concerned. The results from the DSMC method showed good agreement with the experimental data, both in the density and the rotational temperature. It is also shown that the simulation parameters, such as the gas/surface interaction model, the energy exchange model between rotational and translational modes, and the viscosity-temperature exponent, have substantial effects on the results of the DSMC method.

Nonequilibrium Hypersonic Aerothermodynamics Using the Direct Simulation Monte Carlo And Navier-Stokes Models

DTIC Science & Technology

2008-01-17

15. SUBJECT TERMS 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT UU 18 . NUMBER OF PAGES 261 19a. NAME OF RESPONSIBLE PERSON a...REPORT unclassified b. ABSTRACT unclassified c. THIS PAGE unclassified Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39- 18 This material...Sciences Meeting and Exhibit. Several DSMC [13, 58] and CFD [ 18 , 28, 43] solutions were submitted. Later, others compared CFD and DSMC solutions to these

Analysis of vibrational-translational energy transfer using the direct simulation Monte Carlo method

NASA Technical Reports Server (NTRS)

Boyd, Iain D.

1991-01-01

A new model is proposed for energy transfer between the vibrational and translational modes for use in the direct simulation Monte Carlo method (DSMC). The model modifies the Landau-Teller theory for a harmonic oscillator and the rate transition is related to an experimental correlation for the vibrational relaxation time. Assessment of the model is made with respect to three different computations: relaxation in a heat bath, a one-dimensional shock wave, and hypersonic flow over a two-dimensional wedge. These studies verify that the model achieves detailed balance, and excellent agreement with experimental data is obtained in the shock wave calculation. The wedge flow computation reveals that the usual phenomenological method for simulating vibrational nonequilibrium in the DSMC technique predicts much higher vibrational temperatures in the wake region.

Application of a Modular Particle-Continuum Method to Partially Rarefied, Hypersonic Flow

NASA Astrophysics Data System (ADS)

Deschenes, Timothy R.; Boyd, Iain D.

2011-05-01

The Modular Particle-Continuum (MPC) method is used to simulate partially-rarefied, hypersonic flow over a sting-mounted planetary probe configuration. This hybrid method uses computational fluid dynamics (CFD) to solve the Navier-Stokes equations in regions that are continuum, while using direct simulation Monte Carlo (DSMC) in portions of the flow that are rarefied. The MPC method uses state-based coupling to pass information between the two flow solvers and decouples both time-step and mesh densities required by each solver. It is parallelized for distributed memory systems using dynamic domain decomposition and internal energy modes can be consistently modeled to be out of equilibrium with the translational mode in both solvers. The MPC results are compared to both full DSMC and CFD predictions and available experimental measurements. By using DSMC in only regions where the flow is nonequilibrium, the MPC method is able to reproduce full DSMC results down to the level of velocity and rotational energy probability density functions while requiring a fraction of the computational time.

The direct simulation of acoustics on Earth, Mars, and Titan.

PubMed

Hanford, Amanda D; Long, Lyle N

2009-02-01

With the recent success of the Huygens lander on Titan, a moon of Saturn, there has been renewed interest in further exploring the acoustic environments of the other planets in the solar system. The direct simulation Monte Carlo (DSMC) method is used here for modeling sound propagation in the atmospheres of Earth, Mars, and Titan at a variety of altitudes above the surface. DSMC is a particle method that describes gas dynamics through direct physical modeling of particle motions and collisions. The validity of DSMC for the entire range of Knudsen numbers (Kn), where Kn is defined as the mean free path divided by the wavelength, allows for the exploration of sound propagation in planetary environments for all values of Kn. DSMC results at a variety of altitudes on Earth, Mars, and Titan including the details of nonlinearity, absorption, dispersion, and molecular relaxation in gas mixtures are given for a wide range of Kn showing agreement with various continuum theories at low Kn and deviation from continuum theory at high Kn. Despite large computation time and memory requirements, DSMC is the method best suited to study high altitude effects or where continuum theory is not valid.

Simulation of unsteady flows by the DSMC macroscopic chemistry method

NASA Astrophysics Data System (ADS)

Goldsworthy, Mark; Macrossan, Michael; Abdel-jawad, Madhat

2009-03-01

In the Direct Simulation Monte-Carlo (DSMC) method, a combination of statistical and deterministic procedures applied to a finite number of 'simulator' particles are used to model rarefied gas-kinetic processes. In the macroscopic chemistry method (MCM) for DSMC, chemical reactions are decoupled from the specific particle pairs selected for collisions. Information from all of the particles within a cell, not just those selected for collisions, is used to determine a reaction rate coefficient for that cell. Unlike collision-based methods, MCM can be used with any viscosity or non-reacting collision models and any non-reacting energy exchange models. It can be used to implement any reaction rate formulations, whether these be from experimental or theoretical studies. MCM has been previously validated for steady flow DSMC simulations. Here we show how MCM can be used to model chemical kinetics in DSMC simulations of unsteady flow. Results are compared with a collision-based chemistry procedure for two binary reactions in a 1-D unsteady shock-expansion tube simulation. Close agreement is demonstrated between the two methods for instantaneous, ensemble-averaged profiles of temperature, density and species mole fractions, as well as for the accumulated number of net reactions per cell.

Study of the Transition Flow Regime using Monte Carlo Methods

NASA Technical Reports Server (NTRS)

Hassan, H. A.

1999-01-01

This NASA Cooperative Agreement presents a study of the Transition Flow Regime Using Monte Carlo Methods. The topics included in this final report are: 1) New Direct Simulation Monte Carlo (DSMC) procedures; 2) The DS3W and DS2A Programs; 3) Papers presented; 4) Miscellaneous Applications and Program Modifications; 5) Solution of Transitional Wake Flows at Mach 10; and 6) Turbulence Modeling of Shock-Dominated Fows with a k-Enstrophy Formulation.

Extension of a Kinetic Approach to Chemical Reactions to Electronic Energy Levels and Reactions Involving Charged Species With Application to DSMC Simulations

NASA Technical Reports Server (NTRS)

Liechty, Derek S.

2013-01-01

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for nearequilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion of the heating and is then compared to the total heating measured in flight.

DSMC simulations of shock interactions about sharp double cones

NASA Astrophysics Data System (ADS)

Moss, James N.

2001-08-01

This paper presents the results of a numerical study of shock interactions resulting from Mach 10 flow about sharp double cones. Computations are made by using the direct simulation Monte Carlo (DSMC) method of Bird. The sensitivity and characteristics of the interactions are examined by varying flow conditions, model size, and configuration. The range of conditions investigated includes those for which experiments have been or will be performed in the ONERA R5Ch low-density wind tunnel and the Calspan-University of Buffalo Research Center (CUBRC) Large Energy National Shock (LENS) tunnel.

DSMC Simulations of Shock Interactions About Sharp Double Cones

NASA Technical Reports Server (NTRS)

Moss, James N.

2000-01-01

This paper presents the results of a numerical study of shock interactions resulting from Mach 10 flow about sharp double cones. Computations are made by using the direct simulation Monte Carlo (DSMC) method of Bird. The sensitivity and characteristics of the interactions are examined by varying flow conditions, model size, and configuration. The range of conditions investigated includes those for which experiments have been or will be performed in the ONERA R5Ch low-density wind tunnel and the Calspan-University of Buffalo Research Center (CUBRC) Large Energy National Shock (LENS) tunnel.

ASC Weekly News Notes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Womble, David E.

Unified collision operator demonstrated for both radiation transport and PIC-DSMC. A side-by-side comparison between the DSMC method and the radiation transport method was conducted for photon attenuation in the atmosphere over 2 kilometers in physical distance with a reduction of photon density of six orders of magnitude. Both DSMC and traditional radiation transport agreed with theory to two digits. This indicates that PIC-DSMC operators can be unified with the radiation transport collision operators into a single code base and that physics kernels can remain unique to the actual collision pairs. This simulation example provides an initial validation of the unifiedmore » collision theory approach that will later be implemented into EMPIRE.« less

Fast and accurate calculation of dilute quantum gas using Uehling–Uhlenbeck model equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yano, Ryosuke, E-mail: ryosuke.yano@tokiorisk.co.jp

The Uehling–Uhlenbeck (U–U) model equation is studied for the fast and accurate calculation of a dilute quantum gas. In particular, the direct simulation Monte Carlo (DSMC) method is used to solve the U–U model equation. DSMC analysis based on the U–U model equation is expected to enable the thermalization to be accurately obtained using a small number of sample particles and the dilute quantum gas dynamics to be calculated in a practical time. Finally, the applicability of DSMC analysis based on the U–U model equation to the fast and accurate calculation of a dilute quantum gas is confirmed by calculatingmore » the viscosity coefficient of a Bose gas on the basis of the Green–Kubo expression and the shock layer of a dilute Bose gas around a cylinder.« less

Effects of continuum breakdown on hypersonic aerothermodynamics for reacting flow

NASA Astrophysics Data System (ADS)

Holman, Timothy D.; Boyd, Iain D.

2011-02-01

This study investigates the effects of continuum breakdown on the surface aerothermodynamic properties (pressure, stress, and heat transfer rate) of a sphere in a Mach 25 flow of reacting air in regimes varying from continuum to a rarefied gas. Results are generated using both continuum [computational fluid dynamics (CFD)] and particle [direct simulation Monte Carlo (DSMC)] approaches. The DSMC method utilizes a chemistry model that calculates the backward rates from an equilibrium constant. A preferential dissociation model is modified in the CFD method to better compare with the vibrationally favored dissociation model that is utilized in the DSMC method. Tests of these models are performed to confirm their validity and to compare the chemistry models in both numerical methods. This study examines the effect of reacting air flow on continuum breakdown and the surface properties of the sphere. As the global Knudsen number increases, the amount of continuum breakdown in the flow and on the surface increases. This increase in continuum breakdown significantly affects the surface properties, causing an increase in the differences between CFD and DSMC. Explanations are provided for the trends observed.

Radiation Modeling with Direct Simulation Monte Carlo

NASA Technical Reports Server (NTRS)

Carlson, Ann B.; Hassan, H. A.

1991-01-01

Improvements in the modeling of radiation in low density shock waves with direct simulation Monte Carlo (DSMC) are the subject of this study. A new scheme to determine the relaxation collision numbers for excitation of electronic states is proposed. This scheme attempts to move the DSMC programs toward a more detailed modeling of the physics and more reliance on available rate data. The new method is compared with the current modeling technique and both techniques are compared with available experimental data. The differences in the results are evaluated. The test case is based on experimental measurements from the AVCO-Everett Research Laboratory electric arc-driven shock tube of a normal shock wave in air at 10 km/s and .1 Torr. The new method agrees with the available data as well as the results from the earlier scheme and is more easily extrapolated to di erent ow conditions.

Direct simulation of high-vorticity gas flows

NASA Technical Reports Server (NTRS)

Bird, G. A.

1987-01-01

The computational limitations associated with the molecular dynamics (MD) method and the direct simulation Monte Carlo (DSMC) method are reviewed in the context of the computation of dilute gas flows with high vorticity. It is concluded that the MD method is generally limited to the dense gas case in which the molecular diameter is one-tenth or more of the mean free path. It is shown that the cell size in DSMC calculations should be small in comparison with the mean free path, and that this may be facilitated by a new subcell procedure for the selection of collision partners.

Simulations of Ground and Space-Based Oxygen Atom Experiments

NASA Technical Reports Server (NTRS)

Finchum, A. (Technical Monitor); Cline, J. A.; Minton, T. K.; Braunstein, M.

2003-01-01

A low-earth orbit (LEO) materials erosion scenario and the ground-based experiment designed to simulate it are compared using the direct-simulation Monte Carlo (DSMC) method. The DSMC model provides a detailed description of the interactions between the hyperthermal gas flow and a normally oriented flat plate for each case. We find that while the general characteristics of the LEO exposure are represented in the ground-based experiment, multi-collision effects can potentially alter the impact energy and directionality of the impinging molecules in the ground-based experiment. Multi-collision phenomena also affect downstream flux measurements.

Direct Simulation of Reentry Flows with Ionization

NASA Technical Reports Server (NTRS)

Carlson, Ann B.; Hassan, H. A.

1989-01-01

The Direct Simulation Monte Carlo (DSMC) method is applied in this paper to the study of rarefied, hypersonic, reentry flows. The assumptions and simplifications involved with the treatment of ionization, free electrons and the electric field are investigated. A new method is presented for the calculation of the electric field and handling of charged particles with DSMC. In addition, a two-step model for electron impact ionization is implemented. The flow field representing a 10 km/sec shock at an altitude of 65 km is calculated. The effects of the new modeling techniques on the calculation results are presented and discussed.

Radiolytic Model for Chemical Composition of Europa's Atmosphere and Surface

NASA Technical Reports Server (NTRS)

Cooper, John F.

2004-01-01

The overall objective of the present effort is to produce models for major and selected minor components of Europa s neutral atmosphere in 1-D versus altitude and in 2-D versus altitude and longitude or latitude. A 3-D model versus all three coordinates (alt, long, lat) will be studied but development on this is at present limited by computing facilities available to the investigation team. In this first year we have focused on 1-D modeling with Co-I Valery Shematovich s Direct Simulation Monte Carlo (DSMC) code for water group species (H2O, O2, O, OH) and on 2-D with Co-I Mau Wong's version of a similar code for O2, O, CO, CO2, and Na. Surface source rates of H2O and O2 from sputtering and radiolysis are used in the 1-D model, while observations for CO2 at the Europa surface and Na detected in a neutral cloud ejected from Europa are used, along with the O2 sputtering rate, to constrain source rates in the 2-D version. With these separate approaches we are investigating a range of processes important to eventual implementation of a comprehensive 3-D atmospheric model which could be used to understand present observations and develop science requirements for future observations, e.g. from Earth and in Europa orbit. Within the second year we expect to merge the full water group calculations into the 2-D version of the DSMC code which can then be extended to 3-D, pending availability of computing resources. Another important goal in the second year would be the inclusion of sulk and its more volatile oxides (SO, SO2).

Aerodynamic characteristics of the upper stages of a launch vehicle in low-density regime

NASA Astrophysics Data System (ADS)

Oh, Bum Seok; Lee, Joon Ho

2016-11-01

Aerodynamic characteristics of the orbital block (remaining configuration after separation of nose fairing and 1st and 2nd stages of the launch vehicle) and the upper 2-3stage (configuration after separation of 1st stage) of the 3 stages launch vehicle (KSLV-II, Korea Space Launch Vehicle) at high altitude of low-density regime are analyzed by SMILE code which is based on DSMC (Direct Simulation Monte-Carlo) method. To validating of the SMILE code, coefficients of axial force and normal forces of Apollo capsule are also calculated and the results agree very well with the data predicted by others. For the additional validations and applications of the DSMC code, aerodynamic calculation results of simple shapes of plate and wedge in low-density regime are also introduced. Generally, aerodynamic characteristics in low-density regime differ from those of continuum regime. To understand those kinds of differences, aerodynamic coefficients of the upper stages (including upper 2-3 stage and the orbital block) of the launch vehicle in low-density regime are analyzed as a function of Mach numbers and altitudes. The predicted axial force coefficients of the upper stages of the launch vehicle are very high compared to those in continuum regime. In case of the orbital block which flies at very high altitude (higher than 250km), all aerodynamic coefficients are more dependent on velocity variations than altitude variations. In case of the upper 2-3 stage which flies at high altitude (80km-150km), while the axial force coefficients and the locations of center of pressure are less changed with the variations of Knudsen numbers (altitudes), the normal force coefficients and pitching moment coefficients are more affected by variations of Knudsen numbers (altitude).

Comparisons of the Maxwell and CLL Gas/Surface Interaction Models Using DSMC

NASA Technical Reports Server (NTRS)

Hedahl, Marc O.

1995-01-01

Two contrasting models of gas-surface interactions are studied using the Direct Simulation Monte Carlo (DSMC) method. The DSMC calculations examine differences in predictions of aerodynamic forces and heat transfer between the Maxwell and Cercignani-Lampis-Lord (CLL) models for flat plate configurations at freestream conditions corresponding to a 140 km orbit around Venus. The size of the flat plate is that of one of the solar panels on the Magellan spacecraft, and the freestream conditions are one of those experienced during aerobraking maneuvers. Results are presented for both a single flat plate and a two-plate configuration as a function of angle of attack and gas-surface accommodation coefficients. The two plate system is not representative of the Magellan geometry, but is studied to explore possible experiments that might be used to differentiate between the two gas surface interaction models.

DREAM: An Efficient Methodology for DSMC Simulation of Unsteady Processes

NASA Astrophysics Data System (ADS)

Cave, H. M.; Jermy, M. C.; Tseng, K. C.; Wu, J. S.

2008-12-01

A technique called the DSMC Rapid Ensemble Averaging Method (DREAM) for reducing the statistical scatter in the output from unsteady DSMC simulations is introduced. During post-processing by DREAM, the DSMC algorithm is re-run multiple times over a short period before the temporal point of interest thus building up a combination of time- and ensemble-averaged sampling data. The particle data is regenerated several mean collision times before the output time using the particle data generated during the original DSMC run. This methodology conserves the original phase space data from the DSMC run and so is suitable for reducing the statistical scatter in highly non-equilibrium flows. In this paper, the DREAM-II method is investigated and verified in detail. Propagating shock waves at high Mach numbers (Mach 8 and 12) are simulated using a parallel DSMC code (PDSC) and then post-processed using DREAM. The ability of DREAM to obtain the correct particle velocity distribution in the shock structure is demonstrated and the reduction of statistical scatter in the output macroscopic properties is measured. DREAM is also used to reduce the statistical scatter in the results from the interaction of a Mach 4 shock with a square cavity and for the interaction of a Mach 12 shock on a wedge in a channel.

Numerical investigation of rarefaction effects in the vicinity of a sharp leading edge

NASA Astrophysics Data System (ADS)

Pan, Shaowu; Gao, Zhenxun; Lee, Chunhian

2014-12-01

This paper presents a study of rarefaction effect on hypersonic flow over a sharp leading edge. Both continuum approach and kinetic method: a widely spread commercial Computational Fluid Dynamics-Navior-Stokes-Fourier (CFD-NSF) software - Fluent together with a direct simulation Monte Carlo (DSMC) code developed by the authors are employed for simulation of transition regime with Knudsen number ranging from 0.005 to 0.2. It is found that Fluent can predict the wall fluxes in the case of hypersonic argon flow over the sharp leading edge for the lowest Kn case (Kn = 0.005) in current paper while for other cases it also has a good agreement with DSMC except at the location near the sharp leading edge. Among all of the wall fluxes, it is found that coefficient of pressure is the most sensitive to rarefaction while heat transfer is the least one. A parameter based on translational nonequilibrium and a cut-off value of 0.34 is proposed for continuum breakdown in this paper. The structure of entropy and velocity profile in boundary layer is analyzed. Also, it is found that the ratio of heat transfer coefficient to skin friction coefficient remains uniform along the surface for the four cases in this paper.

The spatial distribution of water in the inner coma of Comet 9P/Tempel 1: Comparison between models and observations

NASA Astrophysics Data System (ADS)

Finklenburg, S.; Thomas, N.; Su, C. C.; Wu, J.-S.

2014-07-01

The near nucleus coma of Comet 9P/Tempel 1 has been simulated with the 3D Direct Simulation Monte Carlo (DSMC) code PDSC++ (Su, C.-C. [2013]. Parallel Direct Simulation Monte Carlo (DSMC) Methods for Modeling Rarefied Gas Dynamics. PhD Thesis, National Chiao Tung University, Taiwan) and the derived column densities have been compared to observations of the water vapour distribution found by using infrared imaging spectrometer on the Deep Impact spacecraft (Feaga, L.M., A’Hearn, M.F., Sunshine, J.M., Groussin, O., Farnham, T.L. [2007]. Icarus 191(2), 134-145. http://dx.doi.org/10.1016/j.icarus.2007.04.038). Modelled total production rates are also compared to various observations made at the time of the Deep Impact encounter. Three different models were tested. For all models, the shape model constructed from the Deep Impact observations by Thomas et al. (Thomas, P.C., Veverka, J., Belton, M.J.S., Hidy, A., A’Hearn, M.F., Farnham, T.L., et al. [2007]. Icarus, 187(1), 4-15. http://dx.doi.org/10.1016/j.icarus.2006.12.013) was used. Outgassing depending only on the cosine of the solar insolation angle on each shape model facet is shown to provide an unsatisfactory model. Models constructed on the basis of active areas suggested by Kossacki and Szutowicz (Kossacki, K., Szutowicz, S. [2008]. Icarus, 195(2), 705-724. http://dx.doi.org/10.1016/j.icarus.2007.12.014) are shown to be superior. The Kossacki and Szutowicz model, however, also shows deficits which we have sought to improve upon. For the best model we investigate the properties of the outflow.

Molecular-Level Simulations of the Turbulent Taylor-Green Flow

NASA Astrophysics Data System (ADS)

Gallis, M. A.; Bitter, N. P.; Koehler, T. P.; Plimpton, S. J.; Torczynski, J. R.; Papadakis, G.

2017-11-01

The Direct Simulation Monte Carlo (DSMC) method, a statistical, molecular-level technique that provides accurate solutions to the Boltzmann equation, is applied to the turbulent Taylor-Green vortex flow. The goal of this work is to investigate whether DSMC can accurately simulate energy decay in a turbulent flow. If so, then simulating turbulent flows at the molecular level can provide new insights because the energy decay can be examined in detail from molecular to macroscopic length scales, thereby directly linking molecular relaxation processes to macroscopic transport processes. The DSMC simulations are performed on half a million cores of Sequoia, the 17 Pflop platform at Lawrence Livermore National Laboratory, and the kinetic-energy dissipation rate and the energy spectrum are computed directly from the molecular velocities. The DSMC simulations are found to reproduce the Kolmogorov -5/3 law and to agree with corresponding Navier-Stokes simulations obtained using a spectral method. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Conservative bin-to-bin fractional collisions

NASA Astrophysics Data System (ADS)

Martin, Robert

2016-11-01

Particle methods such as direct simulation Monte Carlo (DSMC) and particle-in-cell (PIC) are commonly used to model rarefied kinetic flows for engineering applications because of their ability to efficiently capture non-equilibrium behavior. The primary drawback to these methods relates to the poor convergence properties due to the stochastic nature of the methods which typically rely heavily on high degrees of non-equilibrium and time averaging to compensate for poor signal to noise ratios. For standard implementations, each computational particle represents many physical particles which further exacerbate statistical noise problems for flow with large species density variation such as encountered in flow expansions and chemical reactions. The stochastic weighted particle method (SWPM) introduced by Rjasanow and Wagner overcome this difficulty by allowing the ratio of real to computational particles to vary on a per particle basis throughout the flow. The DSMC procedure must also be slightly modified to properly sample the Boltzmann collision integral accounting for the variable particle weights and to avoid the creation of additional particles with negative weight. In this work, the SWPM with necessary modification to incorporate the variable hard sphere (VHS) collision cross section model commonly used in engineering applications is first incorporated into an existing engineering code, the Thermophysics Universal Research Framework. The results and computational efficiency are compared to a few simple test cases using a standard validated implementation of the DSMC method along with the adapted SWPM/VHS collision using an octree based conservative phase space reconstruction. The SWPM method is then further extended to combine the collision and phase space reconstruction into a single step which avoids the need to create additional computational particles only to destroy them again during the particle merge. This is particularly helpful when oversampling the collision integral when compared to the standard DSMC method. However, it is found that the more frequent phase space reconstructions can cause added numerical thermalization with low particle per cell counts due to the coarseness of the octree used. However, the methods are expected to be of much greater utility in transient expansion flows and chemical reactions in the future.

Particle Methods for Simulating Atomic Radiation in Hypersonic Reentry Flows

NASA Astrophysics Data System (ADS)

Ozawa, T.; Wang, A.; Levin, D. A.; Modest, M.

2008-12-01

With a fast reentry speed, the Stardust vehicle generates a strong shock region ahead of its blunt body with a temperature above 60,000 K. These extreme Mach number flows are sufficiently energetic to initiate gas ionization processes and thermal and chemical ablation processes. The nonequilibrium gaseous radiation from the shock layer is so strong that it affects the flowfield macroparameter distributions. In this work, we present the first loosely coupled direct simulation Monte Carlo (DSMC) simulations with the particle-based photon Monte Carlo (p-PMC) method to simulate high-Mach number reentry flows in the near-continuum flow regime. To efficiently capture the highly nonequilibrium effects, emission and absorption cross section databases using the Nonequilibrium Air Radiation (NEQAIR) were generated, and atomic nitrogen and oxygen radiative transport was calculated by the p-PMC method. The radiation energy change calculated by the p-PMC method has been coupled in the DSMC calculations, and the atomic radiation was found to modify the flow field and heat flux at the wall.

Oxygen transport properties estimation by DSMC-CT simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bruno, Domenico; Frezzotti, Aldo; Ghiroldi, Gian Pietro

Coupling DSMC simulations with classical trajectories calculations is emerging as a powerful tool to improve predictive capabilities of computational rarefied gas dynamics. The considerable increase of computational effort outlined in the early application of the method (Koura,1997) can be compensated by running simulations on massively parallel computers. In particular, GPU acceleration has been found quite effective in reducing computing time (Ferrigni,2012; Norman et al.,2013) of DSMC-CT simulations. The aim of the present work is to study rarefied Oxygen flows by modeling binary collisions through an accurate potential energy surface, obtained by molecular beams scattering (Aquilanti, et al.,1999). The accuracy ofmore » the method is assessed by calculating molecular Oxygen shear viscosity and heat conductivity following three different DSMC-CT simulation methods. In the first one, transport properties are obtained from DSMC-CT simulations of spontaneous fluctuation of an equilibrium state (Bruno et al, Phys. Fluids, 23, 093104, 2011). In the second method, the collision trajectory calculation is incorporated in a Monte Carlo integration procedure to evaluate the Taxman’s expressions for the transport properties of polyatomic gases (Taxman,1959). In the third, non-equilibrium zero and one-dimensional rarefied gas dynamic simulations are adopted and the transport properties are computed from the non-equilibrium fluxes of momentum and energy. The three methods provide close values of the transport properties, their estimated statistical error not exceeding 3%. The experimental values are slightly underestimated, the percentage deviation being, again, few percent.« less

A continuum analysis of chemical nonequilibrium under hypersonic low-density flight conditions

NASA Technical Reports Server (NTRS)

Gupta, R. N.

1986-01-01

Results of employing the continuum model of Navier-Stokes equations under the low-density flight conditions are presented. These results are obtained with chemical nonequilibrium and multicomponent surface slip boundary conditions. The conditions analyzed are those encountered by the nose region of the Space Shuttle Orbiter during reentry. A detailed comparison of the Navier-Stokes (NS) results is made with the viscous shock-layer (VSL) and direct simulation Monte Carlo (DSMC) predictions. With the inclusion of new surface-slip boundary conditions in NS calculations, the surface heat transfer and other flowfield quantities adjacent to the surface are predicted favorably with the DSMC calculations from 75 km to 115 km in altitude. This suggests a much wider practical range for the applicability of Navier-Stokes solutions than previously thought. This is appealing because the continuum (NS and VSL) methods are commonly used to solve the fluid flow problems and are less demanding in terms of computer resource requirements than the noncontinuum (DSMC) methods.

Error estimation for CFD aeroheating prediction under rarefied flow condition

NASA Astrophysics Data System (ADS)

Jiang, Yazhong; Gao, Zhenxun; Jiang, Chongwen; Lee, Chunhian

2014-12-01

Both direct simulation Monte Carlo (DSMC) and Computational Fluid Dynamics (CFD) methods have become widely used for aerodynamic prediction when reentry vehicles experience different flow regimes during flight. The implementation of slip boundary conditions in the traditional CFD method under Navier-Stokes-Fourier (NSF) framework can extend the validity of this approach further into transitional regime, with the benefit that much less computational cost is demanded compared to DSMC simulation. Correspondingly, an increasing error arises in aeroheating calculation as the flow becomes more rarefied. To estimate the relative error of heat flux when applying this method for a rarefied flow in transitional regime, theoretical derivation is conducted and a dimensionless parameter ɛ is proposed by approximately analyzing the ratio of the second order term to first order term in the heat flux expression in Burnett equation. DSMC simulation for hypersonic flow over a cylinder in transitional regime is performed to test the performance of parameter ɛ, compared with two other parameters, Knρ and MaṡKnρ.

Measurement and analysis of a small nozzle plume in vacuum

NASA Technical Reports Server (NTRS)

Penko, P. F.; Boyd, I. D.; Meissner, D. L.; Dewitt, K. J.

1993-01-01

Pitot pressures and flow angles are measured in the plume of a nozzle flowing nitrogen and exhausting to a vacuum. Total pressures are measured with Pitot tubes sized for specific regions of the plume and flow angles measured with a conical probe. The measurement area for total pressure extends 480 mm (16 exit diameters) downstream of the nozzle exit plane and radially to 60 mm (1.9 exit diameters) off the plume axis. The measurement area for flow angle extends to 160 mm (5 exit diameters) downstream and radially to 60 mm. The measurements are compared to results from a numerical simulation of the flow that is based on kinetic theory and uses the direct-simulation Monte Carlo (DSMC) method. Comparisons of computed results from the DSMC method with measurements of flow angle display good agreement in the far-field of the plume and improve with increasing distance from the exit plane. Pitot pressures computed from the DSMC method are in reasonably good agreement with experimental results over the entire measurement area.

Comparison of a 3-D CFD-DSMC Solution Methodology With a Wind Tunnel Experiment

NASA Technical Reports Server (NTRS)

Glass, Christopher E.; Horvath, Thomas J.

2002-01-01

A solution method for problems that contain both continuum and rarefied flow regions is presented. The methodology is applied to flow about the 3-D Mars Sample Return Orbiter (MSRO) that has a highly compressed forebody flow, a shear layer where the flow separates from a forebody lip, and a low density wake. Because blunt body flow fields contain such disparate regions, employing a single numerical technique to solve the entire 3-D flow field is often impractical, or the technique does not apply. Direct simulation Monte Carlo (DSMC) could be employed to solve the entire flow field; however, the technique requires inordinate computational resources for continuum and near-continuum regions, and is best suited for the wake region. Computational fluid dynamics (CFD) will solve the high-density forebody flow, but continuum assumptions do not apply in the rarefied wake region. The CFD-DSMC approach presented herein may be a suitable way to obtain a higher fidelity solution.

Development of the ARISTOTLE webware for cloud-based rarefied gas flow modeling

NASA Astrophysics Data System (ADS)

Deschenes, Timothy R.; Grot, Jonathan; Cline, Jason A.

2016-11-01

Rarefied gas dynamics are important for a wide variety of applications. An improvement in the ability of general users to predict these gas flows will enable optimization of current, and discovery of future processes. Despite this potential, most rarefied simulation software is designed by and for experts in the community. This has resulted in low adoption of the methods outside of the immediate RGD community. This paper outlines an ongoing effort to create a rarefied gas dynamics simulation tool that can be used by a general audience. The tool leverages a direct simulation Monte Carlo (DSMC) library that is available to the entire community and a web-based simulation process that will enable all users to take advantage of high performance computing capabilities. First, the DSMC library and simulation architecture are described. Then the DSMC library is used to predict a number of representative transient gas flows that are applicable to the rarefied gas dynamics community. The paper closes with a summary and future direction.

DSMC simulations of Mach 20 nitrogen flows about a 70 degree blunted cone and its wake

NASA Technical Reports Server (NTRS)

Moss, James N.; Dogra, Virendra K.; Wilmoth, Richard G.

1993-01-01

Numerical results obtained with the direct simulation Monte Carlo (DSMC) method are presented for Mach 20 nitrogen flow about a 70-deg blunted cone. The flow conditions simulated are those that can be obtained in existing low-density hypersonic wind tunnels. Three sets of flow conditions are simulated with freestream Knudsen numbers ranging from 0.03 to 0.001. The focus is to characterize the wake flow under rarefied conditions. This is accomplished by calculating the influence of rarefaction on wake structure along with the impact that an afterbody has on flow features. This data report presents extensive information concerning flowfield features and surface quantities.

The solution of a model problem of the atmospheric entry of a small meteoroid

NASA Astrophysics Data System (ADS)

Zalogin, G. N.; Kusov, A. L.

2016-03-01

Direct simulation Monte Carlo modeling (DSMC) is used to solve the problem of the entry into the Earth's atmosphere of a small meteoroid. The main aspects of the physical theory of meteors, such as mass loss (ablation) and effects of aerodynamic and thermal shielding, are considered based on the numerical solution of the model problem of the atmospheric entry of an iron meteoroid. The DSMC makes it possible to obtain insight into the structure of the disturbed area around the meteoroid (coma) and trace its evolution depending on entry velocity and height (Knudsen number) in a transitional flow regime where calculation methods used for free molecular and continuum regimes are inapplicable.

DSMC Simulations of Apollo Capsule Aerodynamics for Hypersonic Rarefied Conditions

NASA Technical Reports Server (NTRS)

Moss, James N.; Glass, Christopher E.; Greene, Francis A.

2006-01-01

Direct simulation Monte Carlo DSMC simulations are performed for the Apollo capsule in the hypersonic low density transitional flow regime. The focus is on ow conditions similar to that experienced by the Apollo Command Module during the high altitude portion of its reentry Results for aerodynamic forces and moments are presented that demonstrate their sensitivity to rarefaction that is for free molecular to continuum conditions. Also aerodynamic data are presented that shows their sensitivity to a range of reentry velocity encompasing conditions that include reentry from low Earth orbit lunar return and Mars return velocities to km/s. The rarefied results are anchored in the continuum regime with data from Navier Stokes simulations

Molecular-level simulations of turbulence and its decay

DOE PAGES

Gallis, M. A.; Bitter, N. P.; Koehler, T. P.; ...

2017-02-08

Here, we provide the first demonstration that molecular-level methods based on gas kinetic theory and molecular chaos can simulate turbulence and its decay. The direct simulation Monte Carlo (DSMC) method, a molecular-level technique for simulating gas flows that resolves phenomena from molecular to hydrodynamic (continuum) length scales, is applied to simulate the Taylor-Green vortex flow. The DSMC simulations reproduce the Kolmogorov –5/3 law and agree well with the turbulent kinetic energy and energy dissipation rate obtained from direct numerical simulation of the Navier-Stokes equations using a spectral method. This agreement provides strong evidence that molecular-level methods for gases can bemore » used to investigate turbulent flows quantitatively.« less

Modelling of the outburst on July 29th , 2015 observed with OSIRIS in the southern hemisphere of comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Gicquel, Adeline; Vincent, Jean-Baptiste; Sierks, Holger; Rose, Martin; Agarwal, Jessica; Deller, Jakob; Guettler, Carsten; Hoefner, Sebastian; Hofmann, Marc; Hu, Xuanyu; Kovacs, Gabor; Oklay Vincent, Nilda; Shi, Xian; Tubiana, Cecilia; Barbieri, Cesare; Lamy, Phylippe; Rodrigo, Rafael; Koschny, Detlef; Rickman, Hans; OSIRIS Team

2016-10-01

Images of the nucleus and the coma (gas and dust) of comet 67P/Churyumov- Gerasimenko have been acquired by the OSIRIS (Optical, Spectroscopic, and Infrared Remote Imaging System) cameras system since March 2014 using both the wide angle camera (WAC) and the narrow angle camera (NAC). We are using the NAC camera to study the bright outburst observed on July 29th, 2015 in the southern hemisphere. The NAC camera's wavelength ranges between 250-1000 nm with a combination of 12 filters. The high spatial resolution is needed to localize the source point of the outburst on the surface of the nucleus. At the time of the observations, the heliocentric distance was 1.25AU and the distance between the spacecraft and the comet was 126 km. We aim to understand the physics leading to such outgassing: Is the jet associated to the outbursts controlled by the micro-topography? Or by ice suddenly exposed? We are using the Direct Simulation Monte Carlo (DSMC) method to study the gas flow close to the nucleus. The goal of the DSMC code is to reproduce the opening angle of the jet, and constrain the outgassing ratio between outburst source and local region. The results of this model will be compared to the images obtained with the NAC camera.

DSMC computations of hypersonic flow separation and re-attachment in the transition to continuum regime

NASA Astrophysics Data System (ADS)

Prakash, Ram; Gai, Sudhir L.; O'Byrne, Sean; Brown, Melrose

2016-11-01

The flow over a `tick' shaped configuration is performed using two Direct Simulation Monte Carlo codes: the DS2V code of Bird and the code from Sandia National Laboratory, called SPARTA. The configuration creates a flow field, where the flow is expanded initially but then is affected by the adverse pressure gradient induced by a compression surface. The flow field is challenging in the sense that the full flow domain is comprised of localized areas spanning continuum and transitional regimes. The present work focuses on the capability of SPARTA to model such flow conditions and also towards a comparative evaluation with results from DS2V. An extensive grid adaptation study is performed using both the codes on a model with a sharp leading edge and the converged results are then compared. The computational predictions are evaluated in terms of surface parameters such as heat flux, shear stress, pressure and velocity slip. SPARTA consistently predicts higher values for these surface properties. The skin friction predictions of both the codes don't give any indication of separation but the velocity slip plots indicate an incipient separation behavior at the corner. The differences in the results are attributed towards the flow resolution at the leading edge that dictates the downstream flow characteristics.

Effects of Chemistry on Blunt-Body Wake Structure

NASA Technical Reports Server (NTRS)

Dogra, Virendra K.; Moss, James N.; Wilmoth, Richard G.; Taylor, Jeff C.; Hassan, H. A.

1995-01-01

Results of a numerical study are presented for hypersonic low-density flow about a 70-deg blunt cone using direct simulation Monte Carlo (DSMC) and Navier-Stokes calculations. Particular emphasis is given to the effects of chemistry on the near-wake structure and on the surface quantities and the comparison of the DSMC results with the Navier-Stokes calculations. The flow conditions simulated are those experienced by a space vehicle at an altitude of 85 km and a velocity of 7 km/s during Earth entry. A steady vortex forms in the near wake for these freestream conditions for both chemically reactive and nonreactive air gas models. The size (axial length) of the vortex for the reactive air calculations is 25% larger than that of the nonreactive air calculations. The forebody surface quantities are less sensitive to the chemistry than the base surface quantities. The presence of the afterbody has no effect on the forebody flow structure or the surface quantities. The comparisons of DSMC and Navier-Stokes calculations show good agreement for the wake structure and the forebody surface quantities.

Restricted Collision List method for faster Direct Simulation Monte-Carlo (DSMC) collisions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Macrossan, Michael N., E-mail: m.macrossan@uq.edu.au

The ‘Restricted Collision List’ (RCL) method for speeding up the calculation of DSMC Variable Soft Sphere collisions, with Borgnakke–Larsen (BL) energy exchange, is presented. The method cuts down considerably on the number of random collision parameters which must be calculated (deflection and azimuthal angles, and the BL energy exchange factors). A relatively short list of these parameters is generated and the parameters required in any cell are selected from this list. The list is regenerated at intervals approximately equal to the smallest mean collision time in the flow, and the chance of any particle re-using the same collision parameters inmore » two successive collisions is negligible. The results using this method are indistinguishable from those obtained with standard DSMC. The CPU time saving depends on how much of a DSMC calculation is devoted to collisions and how much is devoted to other tasks, such as moving particles and calculating particle interactions with flow boundaries. For 1-dimensional calculations of flow in a tube, the new method saves 20% of the CPU time per collision for VSS scattering with no energy exchange. With RCL applied to rotational energy exchange, the CPU saving can be greater; for small values of the rotational collision number, for which most collisions involve some rotational energy exchange, the CPU may be reduced by 50% or more.« less

Gas flow in the near-surface porous boundary layer of the 67P/Churyumov-Gerasimenko using micro-CT images

NASA Astrophysics Data System (ADS)

Christou, Chariton; Kokou Dadzie, S.; Thomas, Nicolas; Hartogh, Paul; Jorda, Laurent; Kührt, Ekkehard; Whitby, James; Wright, Ian; Zarnecki, John

2017-04-01

While ESA's Rosetta mission has formally been completed, the data analysis and interpretation continues. Here, we address the physics of the gas flow at the surface of the comet. Understanding the sublimation of ice at the surface of the nucleus provides the initial boundary condition for studying the inner coma. The gas flow at the surface of the comet 67P/Churyumov-Gerasimenko can be in the rarefaction regime and a non-Maxwellian velocity distribution may be present. In these cases, continuum methods like Navier-Stokes-Fourier (NSF) set of equations are rarely applicable. Discrete particle methods such as Direct Simulation Monte Carlo (DSMC) method are usually adopted. DSMC is currently the dominant numerical method to study rarefied gas flows. It has been widely used to study cometary outflow over past years .1,2. In the present study, we investigate numerically, gas transport near the surface of the nucleus using DSMC. We focus on the outgassing from the near surface boundary layer into the vacuum (˜20 cm above the nucleus surface). Simulations are performed using the open source code dsmcFoam on an unstructured grid. Until now, artificially generated random porous media formed by packed spheres have been used to represent the comet surface boundary layer structure .3. In the present work, we used instead Micro-computerized-tomography (micro-CT) scanned images to provide geologically realistic 3D representations of the boundary layer porous structure. The images are from earth basins. The resolution is relatively high - in the range of some μm. Simulations from different rock samples with high porosity (and comparable to those expected at 67P) are compared. Gas properties near the surface boundary layer are presented and characterized. We have identified effects of the various porous structure properties on the gas flow fields. Temperature, density and velocity profiles have also been analyzed. .1. J.-F. Crifo, G. Loukianov, A. Rodionov and V. Zakharov, Icarus 176 (1), 192-219 (2005). 2. Y. Liao, C. Su, R. Marschall, J. Wu, M. Rubin, I. Lai, W. Ip, H. Keller, J. Knollenberg and E. Kührt, Earth, Moon, and Planets 117 (1), 41-64 (2016). 3. Y. V. Skorov, R. Van Lieshout, J. Blum and H. U. Keller, Icarus 212 (2), 867-876 (2011).

Characterization of Vacuum Facility Background Gas Through Simulation and Considerations for Electric Propulsion Ground Testing

NASA Technical Reports Server (NTRS)

Yim, John T.; Burt, Jonathan M.

2015-01-01

The background gas in a vacuum facility for electric propulsion ground testing is examined in detail through a series of cold flow simulations using a direct simulation Monte Carlo (DSMC) code. The focus here is on the background gas itself, its structure and characteristics, rather than assessing its interaction and impact on thruster operation. The background gas, which is often incorrectly characterized as uniform, is found to have a notable velocity within a test facility. The gas velocity has an impact on the proper measurement of pressure and the calculation of ingestion flux to a thruster. There are also considerations for best practices for tests that involve the introduction of supplemental gas flows to artificially increase the background pressure. All of these effects need to be accounted for to properly characterize the operation of electric propulsion thrusters across different ground test vacuum facilities.

Hypersonic Flows About a 25 degree Sharp Cone

NASA Technical Reports Server (NTRS)

Moss, James N.

2001-01-01

This paper presents the results of a numerical study that examines the surface heating discrepancies observed between computed and measured values along a sharp cone. With Mach numbers of an order of 10 and the freestream length Reynolds number of an order of 10 000, the present computations have been made with the direct simulation Monte Carlo (DSMC) method by using the G2 code of Bird. The flow conditions are those specified for two experiments conducted in the Veridian 48-inch Hypersonic Shock Tunnel. Axisymmetric simulations are made since the test model was assumed to be at zero incidence. Details of the current calculations are presented, along with comparisons between the experimental data, for surface heating and pressure distributions. Results of the comparisons show major differences in measured and calculated results for heating distributions, with differences in excess of 25 percent for the two cases examined.

Development and application of computational aerothermodynamics flowfield computer codes

NASA Technical Reports Server (NTRS)

Venkatapathy, Ethiraj

1993-01-01

Computations are presented for one-dimensional, strong shock waves that are typical of those that form in front of a reentering spacecraft. The fluid mechanics and thermochemistry are modeled using two different approaches. The first employs traditional continuum techniques in solving the Navier-Stokes equations. The second-approach employs a particle simulation technique (the direct simulation Monte Carlo method, DSMC). The thermochemical models employed in these two techniques are quite different. The present investigation presents an evaluation of thermochemical models for nitrogen under hypersonic flow conditions. Four separate cases are considered. The cases are governed, respectively, by the following: vibrational relaxation; weak dissociation; strong dissociation; and weak ionization. In near-continuum, hypersonic flow, the nonequilibrium thermochemical models employed in continuum and particle simulations produce nearly identical solutions. Further, the two approaches are evaluated successfully against available experimental data for weakly and strongly dissociating flows.

DSMC Modeling of Flows with Recombination Reactions

DTIC Science & Technology

2017-06-23

Rogasinsky, “Analysis of the numerical techniques of the direct simulation Monte Carlo method in the rarefied gas dynamics,” Russ. J. Numer. Anal. Math ...reflection in steady flows,” Comput. Math . Appl. 35(1-2), 113–126 (1998). 45K. L. Wray, “Shock-tube study of the recombination of O atoms by Ar catalysts at

Dynamic load balance scheme for the DSMC algorithm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Jin; Geng, Xiangren; Jiang, Dingwu

The direct simulation Monte Carlo (DSMC) algorithm, devised by Bird, has been used over a wide range of various rarified flow problems in the past 40 years. While the DSMC is suitable for the parallel implementation on powerful multi-processor architecture, it also introduces a large load imbalance across the processor array, even for small examples. The load imposed on a processor by a DSMC calculation is determined to a large extent by the total of simulator particles upon it. Since most flows are impulsively started with initial distribution of particles which is surely quite different from the steady state, themore » total of simulator particles will change dramatically. The load balance based upon an initial distribution of particles will break down as the steady state of flow is reached. The load imbalance and huge computational cost of DSMC has limited its application to rarefied or simple transitional flows. In this paper, by taking advantage of METIS, a software for partitioning unstructured graphs, and taking the total of simulator particles in each cell as a weight information, the repartitioning based upon the principle that each processor handles approximately the equal total of simulator particles has been achieved. The computation must pause several times to renew the total of simulator particles in each processor and repartition the whole domain again. Thus the load balance across the processors array holds in the duration of computation. The parallel efficiency can be improved effectively. The benchmark solution of a cylinder submerged in hypersonic flow has been simulated numerically. Besides, hypersonic flow past around a complex wing-body configuration has also been simulated. The results have displayed that, for both of cases, the computational time can be reduced by about 50%.« less

DSMC Computations for Regions of Shock/Shock and Shock/Boundary Layer Interaction

NASA Technical Reports Server (NTRS)

Moss, James N.

2001-01-01

This paper presents the results of a numerical study of hypersonic interacting flows at flow conditions that include those for which experiments have been conducted in the Calspan-University of Buffalo Research Center (CUBRC) Large Energy National Shock (LENS) tunnel and the ONERA R5Ch low-density wind tunnel. The computations are made with the direct simulation Monte Carlo (DSMC) method of Bird. The focus is on Mach 9.3 to 11.4 flows about flared axisymmetric configurations, both hollow cylinder flares and double cones. The results presented highlight the sensitivity of the calculations to grid resolution, provide results concerning the conditions for incipient separation, and provide information concerning the flow structure and surface results for the extent of separation, heating, pressure, and skin friction.

Channel electron multiplier operated on a sounding rocket without a cryogenic vacuum pump from 120 - 75 km altitude

NASA Astrophysics Data System (ADS)

Dickson, S.; Gausa, M. A.; Robertson, S. H.; Sternovsky, Z.

2012-12-01

We demonstrate that a channel electron multiplier (CEM) can be operated on a sounding rocket in the pulse-counting mode from 120 km to 75 km altitude without the cryogenic evacuation used in the past. Evacuation of the CEM is provided only by aerodynamic flow around the rocket. This demonstration is motivated by the need for additional flights of mass spectrometers to clarify the fate of metallic compounds and ions ablated from micrometeorites and their possible role in the nucleation of noctilucent clouds. The CEMs were flown as guest instruments on the two sounding rockets of the CHAMPS (CHarge And mass of Meteoritic smoke ParticleS) rocket campaign which were launched into the mesosphere in October 2011 from Andøya Rocket Range, Norway. Modeling of the aerodynamic flow around the payload with Direct Simulation Monte-Carlo (DSMC) code showed that the pressure is reduced below ambient in the void beneath an aft-facing surface. An enclosure containing the CEM was placed above an aft-facing deck and a valve was opened on the downleg to expose the CEM to the aerodynamically evacuated region below. The CEM operated successfully from apogee down to ~75 km. A Pirani gauge confirmed pressures reduced to as low as 20% of ambient with the extent of reduction dependent upon altitude and velocity. Additional DSMC simulations indicate that there are alternate payload designs with improved aerodynamic pumping for forward mounted instruments such as mass spectrometers.

Full System Model of Magnetron Sputter Chamber - Proof-of-Principle Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walton, C; Gilmer, G; Zepeda-Ruiz, L

2007-05-04

The lack of detailed knowledge of internal process conditions remains a key challenge in magnetron sputtering, both for chamber design and for process development. Fundamental information such as the pressure and temperature distribution of the sputter gas, and the energies and arrival angles of the sputtered atoms and other energetic species is often missing, or is only estimated from general formulas. However, open-source or low-cost tools are available for modeling most steps of the sputter process, which can give more accurate and complete data than textbook estimates, using only desktop computations. To get a better understanding of magnetron sputtering, wemore » have collected existing models for the 5 major process steps: the input and distribution of the neutral background gas using Direct Simulation Monte Carlo (DSMC), dynamics of the plasma using Particle In Cell-Monte Carlo Collision (PIC-MCC), impact of ions on the target using molecular dynamics (MD), transport of sputtered atoms to the substrate using DSMC, and growth of the film using hybrid Kinetic Monte Carlo (KMC) and MD methods. Models have been tested against experimental measurements. For example, gas rarefaction as observed by Rossnagel and others has been reproduced, and it is associated with a local pressure increase of {approx}50% which may strongly influence film properties such as stress. Results on energies and arrival angles of sputtered atoms and reflected gas neutrals are applied to the Kinetic Monte Carlo simulation of film growth. Model results and applications to growth of dense Cu and Be films are presented.« less

Investigation of the Klinkenberg effect in a micro/nanoporous medium by direct simulation Monte Carlo method

NASA Astrophysics Data System (ADS)

Yang, Guang; Weigand, Bernhard

2018-04-01

The pressure-driven gas transport characteristics through a porous medium consisting of arrays of discrete elements is investigated by using the direct simulation Monte Carlo (DSMC) method. Different porous structures are considered, accounting for both two- and three-dimensional arrangements of basic microscale and nanoscale elements. The pore scale flow patterns in the porous medium are obtained, and the Knudsen diffusion in the pores is studied in detail for slip and transition flow regimes. A new effective pore size of the porous medium is defined, which is a function of the porosity, the tortuosity, the contraction factor, and the intrinsic permeability of the porous medium. It is found that the Klinkenberg effect in different porous structures can be fully described by the Knudsen number characterized by the effective pore size. The accuracies of some widely used Klinkenberg correlations are evaluated by the present DSMC results. It is also found that the available correlations for apparent permeability, most of which are derived from simple pipe or channel flows, can still be applicative for more complex porous media flows, by using the effective pore size defined in this study.

Hypersonic low-density solutions of the Navier-Stokes equations with chemical nonequilibrium and multicomponent surface slip

NASA Technical Reports Server (NTRS)

Gupta, R. N.; Simmonds, A. L.

1986-01-01

Solutions of the Navier-Stokes equations with chemical nonequilibrium and multicomponent surface slip are presented along the stagnation streamline under low-density hypersonic flight conditions. The conditions analyzed are those encountered by the nose region of the Space Shuttle Orbiter during reentry. A detailed comparison of the Navier-Stokes (NS) results is made with the viscous shock-layer (VSL) and Direct Simulation Monte Carlo (DSMC) predictions. With the inclusion of surface-slip boundary conditions in NS calculations, the surface heat transfer and other flow field quantities adjacent to the surface are predicted favorably with the DSMC calculations from 75 km to 115 km in altitude. Therefore, the practical range for the applicability of Navier-Stokes solutions is much wider than previously thought. This is appealing because the continuum (NS and VSL) methods are commonly used to solve the fluid flow problems and are less demanding in terms of computer resource requirements than the noncontinuum (DSMC) methods. The NS solutions agree well with the VSL results for altitudes less than 92 km. An assessment is made of the frozen flow approximation employed in the VSL calculations.

Plume flowfield analysis of the shuttle primary Reaction Control System (RCS) rocket engine

NASA Technical Reports Server (NTRS)

Hueser, J. E.; Brock, F. J.

1990-01-01

A solution was generated for the physical properties of the Shuttle RCS 4000 N (900 lb) rocket engine exhaust plume flowfield. The modeled exhaust gas consists of the five most abundant molecular species, H2, N2, H2O, CO, and CO2. The solution is for a bare RCS engine firing into a vacuum; the only additional hardware surface in the flowfield is a cylinder (=engine mount) which coincides with the nozzle lip outer corner at X = 0, extends to the flowfield outer boundary at X = -137 m and is coaxial with the negative symmetry axis. Continuum gas dynamic methods and the Direct Simulation Monte Carlo (DSMC) method were combined in an iterative procedure to produce a selfconsistent solution. Continuum methods were used in the RCS nozzle and in the plume as far as the P = 0.03 breakdown contour; the DSMC method was used downstream of this continuum flow boundary. The DSMC flowfield extends beyond 100 m from the nozzle exit and thus the solution includes the farfield flow properties, but substantial information is developed on lip flow dynamics and thus results are also presented for the flow properties in the vicinity of the nozzle lip.

DSMC study of oxygen shockwaves based on high-fidelity vibrational relaxation and dissociation models

NASA Astrophysics Data System (ADS)

Borges Sebastião, Israel; Kulakhmetov, Marat; Alexeenko, Alina

2017-01-01

This work evaluates high-fidelity vibrational-translational (VT) energy relaxation and dissociation models for pure O2 normal shockwave simulations with the direct simulation Monte Carlo (DSMC) method. The O2-O collisions are described using ab initio state-specific relaxation and dissociation models. The Macheret-Fridman (MF) dissociation model is adapted to the DSMC framework by modifying the standard implementation of the total collision energy (TCE) model. The O2-O2 dissociation is modeled with this TCE+MF approach, which is calibrated with O2-O ab initio data and experimental equilibrium dissociation rates. The O2-O2 vibrational relaxation is modeled via the Larsen-Borgnakke model, calibrated to experimental VT rates. All the present results are compared to experimental data and previous calculations available in the literature. It is found that, in general, the ab initio dissociation model is better than the TCE model at matching the shock experiments. Therefore, when available, efficient ab initio models are preferred over phenomenological models. We also show that the proposed TCE + MF formulation can be used to improve the standard TCE model results when ab initio data are not available or limited.

Comparison between phenomenological and ab-initio reaction and relaxation models in DSMC

NASA Astrophysics Data System (ADS)

Sebastião, Israel B.; Kulakhmetov, Marat; Alexeenko, Alina

2016-11-01

New state-specific vibrational-translational energy exchange and dissociation models, based on ab-initio data, are implemented in direct simulation Monte Carlo (DSMC) method and compared to the established Larsen-Borgnakke (LB) and total collision energy (TCE) phenomenological models. For consistency, both the LB and TCE models are calibrated with QCT-calculated O2+O data. The model comparison test cases include 0-D thermochemical relaxation under adiabatic conditions and 1-D normal shockwave calculations. The results show that both the ME-QCT-VT and LB models can reproduce vibrational relaxation accurately but the TCE model is unable to reproduce nonequilibrium rates even when it is calibrated to accurate equilibrium rates. The new reaction model does capture QCT-calculated nonequilibrium rates. For all investigated cases, we discuss the prediction differences based on the new model features.

Investigation of the ellipsoidal-statistical Bhatnagar-Gross-Krook kinetic model applied to gas-phase transport of heat and tangential momentum between parallel walls

NASA Astrophysics Data System (ADS)

Gallis, M. A.; Torczynski, J. R.

2011-03-01

The ellipsoidal-statistical Bhatnagar-Gross-Krook (ES-BGK) kinetic model is investigated for steady gas-phase transport of heat, tangential momentum, and mass between parallel walls (i.e., Fourier, Couette, and Fickian flows). This investigation extends the original study of Cercignani and Tironi, who first applied the ES-BGK model to heat transport (i.e., Fourier flow) shortly after this model was proposed by Holway. The ES-BGK model is implemented in a molecular-gas-dynamics code so that results from this model can be compared directly to results from the full Boltzmann collision term, as computed by the same code with the direct simulation Monte Carlo (DSMC) algorithm of Bird. A gas of monatomic molecules is considered. These molecules collide in a pairwise fashion according to either the Maxwell or the hard-sphere interaction and reflect from the walls according to the Cercignani-Lampis-Lord model with unity accommodation coefficients. Simulations are performed at pressures from near-free-molecular to near-continuum. Unlike the BGK model, the ES-BGK model produces heat-flux and shear-stress values that both agree closely with the DSMC values at all pressures. However, for both interactions, the ES-BGK model produces molecular-velocity-distribution functions that are qualitatively similar to those determined for the Maxwell interaction from Chapman-Enskog theory for small wall temperature differences and moment-hierarchy theory for large wall temperature differences. Moreover, the ES-BGK model does not produce accurate values of the mass self-diffusion coefficient for either interaction. Nevertheless, given its reasonable accuracy for heat and tangential-momentum transport, its sound theoretical foundation (it obeys the H-theorem), and its available extension to polyatomic molecules, the ES-BGK model may be a useful method for simulating certain classes of single-species noncontinuum gas flows, as Cercignani suggested.

Modeling and simulation of radiation from hypersonic flows with Monte Carlo methods

NASA Astrophysics Data System (ADS)

Sohn, Ilyoup

During extreme-Mach number reentry into Earth's atmosphere, spacecraft experience hypersonic non-equilibrium flow conditions that dissociate molecules and ionize atoms. Such situations occur behind a shock wave leading to high temperatures, which have an adverse effect on the thermal protection system and radar communications. Since the electronic energy levels of gaseous species are strongly excited for high Mach number conditions, the radiative contribution to the total heat load can be significant. In addition, radiative heat source within the shock layer may affect the internal energy distribution of dissociated and weakly ionized gas species and the number density of ablative species released from the surface of vehicles. Due to the radiation total heat load to the heat shield surface of the vehicle may be altered beyond mission tolerances. Therefore, in the design process of spacecrafts the effect of radiation must be considered and radiation analyses coupled with flow solvers have to be implemented to improve the reliability during the vehicle design stage. To perform the first stage for radiation analyses coupled with gas-dynamics, efficient databasing schemes for emission and absorption coefficients were developed to model radiation from hypersonic, non-equilibrium flows. For bound-bound transitions, spectral information including the line-center wavelength and assembled parameters for efficient calculations of emission and absorption coefficients are stored for typical air plasma species. Since the flow is non-equilibrium, a rate equation approach including both collisional and radiatively induced transitions was used to calculate the electronic state populations, assuming quasi-steady-state (QSS). The Voigt line shape function was assumed for modeling the line broadening effect. The accuracy and efficiency of the databasing scheme was examined by comparing results of the databasing scheme with those of NEQAIR for the Stardust flowfield. An accuracy of approximately 1 % was achieved with an efficiency about three times faster than the NEQAIR code. To perform accurate and efficient analyses of chemically reacting flowfield - radiation interactions, the direct simulation Monte Carlo (DSMC) and the photon Monte Carlo (PMC) radiative transport methods are used to simulate flowfield - radiation coupling from transitional to peak heating freestream conditions. The non-catalytic and fully catalytic surface conditions were modeled and good agreement of the stagnation-point convective heating between DSMC and continuum fluid dynamics (CFD) calculation under the assumption of fully catalytic surface was achieved. Stagnation-point radiative heating, however, was found to be very different. To simulate three-dimensional radiative transport, the finite-volume based PMC (FV-PMC) method was employed. DSMC - FV-PMC simulations with the goal of understanding the effect of radiation on the flow structure for different degrees of hypersonic non-equilibrium are presented. It is found that except for the highest altitudes, the coupling of radiation influences the flowfield, leading to a decrease in both heavy particle translational and internal temperatures and a decrease in the convective heat flux to the vehicle body. The DSMC - FV-PMC coupled simulations are compared with the previous coupled simulations and correlations obtained using continuum flow modeling and one-dimensional radiative transport. The modeling of radiative transport is further complicated by radiative transitions occurring during the excitation process of the same radiating gas species. This interaction affects the distribution of electronic state populations and, in turn, the radiative transport. The radiative transition rate in the excitation/de-excitation processes and the radiative transport equation (RTE) must be coupled simultaneously to account for non-local effects. The QSS model is presented to predict the electronic state populations of radiating gas species taking into account non-local radiation. The definition of the escape factor which is dependent on the incoming radiative intensity from over all directions is presented. The effect of the escape factor on the distribution of electronic state populations of the atomic N and O radiating species is examined in a highly non-equilibrium flow condition using DSMC and PMC methods and the corresponding change of the radiative heat flux due to the non-local radiation is also investigated.

Collision partner selection schemes in DSMC: From micro/nano flows to hypersonic flows

NASA Astrophysics Data System (ADS)

Roohi, Ehsan; Stefanov, Stefan

2016-10-01

The motivation of this review paper is to present a detailed summary of different collision models developed in the framework of the direct simulation Monte Carlo (DSMC) method. The emphasis is put on a newly developed collision model, i.e., the Simplified Bernoulli trial (SBT), which permits efficient low-memory simulation of rarefied gas flows. The paper starts with a brief review of the governing equations of the rarefied gas dynamics including Boltzmann and Kac master equations and reiterates that the linear Kac equation reduces to a non-linear Boltzmann equation under the assumption of molecular chaos. An introduction to the DSMC method is provided, and principles of collision algorithms in the DSMC are discussed. A distinction is made between those collision models that are based on classical kinetic theory (time counter, no time counter (NTC), and nearest neighbor (NN)) and the other class that could be derived mathematically from the Kac master equation (pseudo-Poisson process, ballot box, majorant frequency, null collision, Bernoulli trials scheme and its variants). To provide a deeper insight, the derivation of both collision models, either from the principles of the kinetic theory or the Kac master equation, is provided with sufficient details. Some discussions on the importance of subcells in the DSMC collision procedure are also provided and different types of subcells are presented. The paper then focuses on the simplified version of the Bernoulli trials algorithm (SBT) and presents a detailed summary of validation of the SBT family collision schemes (SBT on transient adaptive subcells: SBT-TAS, and intelligent SBT: ISBT) in a broad spectrum of rarefied gas-flow test cases, ranging from low speed, internal micro and nano flows to external hypersonic flow, emphasizing first the accuracy of these new collision models and second, demonstrating that the SBT family scheme, if compared to other conventional and recent collision models, requires smaller number of particles per cell to obtain sufficiently accurate solutions.

Review of blunt body wake flows at hypersonic low density conditions

NASA Technical Reports Server (NTRS)

Moss, J. N.; Price, J. M.

1996-01-01

Recent results of experimental and computational studies concerning hypersonic flows about blunted cones including their near wake are reviewed. Attention is focused on conditions where rarefaction effects are present, particularly in the wake. The experiments have been performed for a common model configuration (70 deg spherically-blunted cone) in five hypersonic facilities that encompass a significant range of rarefaction and nonequilibrium effects. Computational studies using direct simulation Monte Carlo (DSMC) and Navier-Stokes solvers have been applied to selected experiments performed in each of the facilities. In addition, computations have been made for typical flight conditions in both Earth and Mars atmospheres, hence more energetic flows than produced in the ground-based tests. Also, comparisons of DSMC calculations and forebody measurements made for the Japanese Orbital Reentry Experiment (OREX) vehicle (a 50 deg spherically-blunted cone) are presented to bridge the spectrum of ground to flight conditions.

DSMC Simulations of Blunt Body Flows for Mars Entries: Mars Pathfinder and Mars Microprobe Capsules

NASA Technical Reports Server (NTRS)

Moss, James N.; Wilmoth, Richard G.; Price, Joseph M.

1997-01-01

The hypersonic transitional flow aerodynamics of the Mars Pathfinder and Mars Microprobe capsules are simulated with the direct simulation Monte Carlo method. Calculations of axial, normal, and static pitching coefficients were obtained over an angle of attack range comparable to actual flight requirements. Comparisons are made with modified Newtonian and free-molecular-flow calculations. Aerothermal results were also obtained for zero incidence entry conditions.

An ab initio chemical reaction model for the direct simulation Monte Carlo study of non-equilibrium nitrogen flows.

PubMed

Mankodi, T K; Bhandarkar, U V; Puranik, B P

2017-08-28

A new ab initio based chemical model for a Direct Simulation Monte Carlo (DSMC) study suitable for simulating rarefied flows with a high degree of non-equilibrium is presented. To this end, Collision Induced Dissociation (CID) cross sections for N 2 +N 2 →N 2 +2N are calculated and published using a global complete active space self-consistent field-complete active space second order perturbation theory N 4 potential energy surface and quasi-classical trajectory algorithm for high energy collisions (up to 30 eV). CID cross sections are calculated for only a selected set of ro-vibrational combinations of the two nitrogen molecules, and a fitting scheme based on spectroscopic weights is presented to interpolate the CID cross section for all possible ro-vibrational combinations. The new chemical model is validated by calculating equilibrium reaction rate coefficients that can be compared well with existing shock tube and computational results. High-enthalpy hypersonic nitrogen flows around a cylinder in the transition flow regime are simulated using DSMC to compare the predictions of the current ab initio based chemical model with the prevailing phenomenological model (the total collision energy model). The differences in the predictions are discussed.

Effects of neutral distribution and external magnetic field on plasma momentum in electrodeless plasma thrusters

NASA Astrophysics Data System (ADS)

Takase, Kazuki; Takahashi, Kazunori; Takao, Yoshinori

2018-02-01

The effects of neutral distribution and an external magnetic field on plasma distribution and thruster performance are numerically investigated using a particle-in-cell simulation with Monte Carlo collisions (PIC-MCC) and the direct simulation Monte Carlo (DSMC) method. The modeled thruster consists of a quartz tube 1 cm in diameter and 3 cm in length, where a double-turn rf loop antenna is wound at the center of the tube and a solenoid is placed between the loop antenna and the downstream tube exit. A xenon propellant is introduced from both the upstream and downstream sides of the thruster, and the flow rates are varied while maintaining the total gas flow rate of 30 μg/s. The PIC-MCC calculations have been conducted using the neutral distribution obtained from the DSMC calculations, which were applied with different strengths of the magnetic field. The numerical results show that both the downstream gas injection and the external magnetic field with a maximum strength near the thruster exit lead to a shift of the plasma density peak from the upstream to the downstream side. Consequently, a larger total thrust is obtained when increasing the downstream gas injection and the magnetic field strength, which qualitatively agrees with a previous experiment using a helicon plasma source.

TiOx deposited by magnetron sputtering: a joint modelling and experimental study

NASA Astrophysics Data System (ADS)

Tonneau, R.; Moskovkin, P.; Pflug, A.; Lucas, S.

2018-05-01

This paper presents a 3D multiscale simulation approach to model magnetron reactive sputter deposition of TiOx⩽2 at various O2 inlets and its validation against experimental results. The simulation first involves the transport of sputtered material in a vacuum chamber by means of a three-dimensional direct simulation Monte Carlo (DSMC) technique. Second, the film growth at different positions on a 3D substrate is simulated using a kinetic Monte Carlo (kMC) method. When simulating the transport of species in the chamber, wall chemistry reactions are taken into account in order to get the proper content of the reactive species in the volume. Angular and energy distributions of particles are extracted from DSMC and used for film growth modelling by kMC. Along with the simulation, experimental deposition of TiOx coatings on silicon samples placed at different positions on a curved sample holder was performed. The experimental results are in agreement with the simulated ones. For a given coater, the plasma phase hysteresis behaviour, film composition and film morphology are predicted. The used methodology can be applied to any coater and any films. This paves the way to the elaboration of a virtual coater allowing a user to predict composition and morphology of films deposited in silico.

Orion Aerodynamics for Hypersonic Free Molecular to Continuum Conditions

NASA Technical Reports Server (NTRS)

Moss, James N.; Greene, Francis A.; Boyles, Katie A.

2006-01-01

Numerical simulations are performed for the Orion Crew Module, previously known as the Crew Exploration Vehicle (CEV) Command Module, to characterize its aerodynamics during the high altitude portion of its reentry into the Earth's atmosphere, that is, from free molecular to continuum hypersonic conditions. The focus is on flow conditions similar to those that the Orion Crew Module would experience during a return from the International Space Station. The bulk of the calculations are performed with two direct simulation Monte Carlo (DSMC) codes, and these data are anchored with results from both free molecular and Navier-Stokes calculations. Results for aerodynamic forces and moments are presented that demonstrate their sensitivity to rarefaction, that is, for free molecular to continuum conditions (Knudsen numbers of 111 to 0.0003). Also included are aerodynamic data as a function of angle of attack for different levels of rarefaction and results that demonstrate the aerodynamic sensitivity of the Orion CM to a range of reentry velocities (7.6 to 15 km/s).

Blunt Body Aerodynamics for Hypersonic Low Density Flows

NASA Technical Reports Server (NTRS)

Moss, James N.; Glass, Christopher E.; Greene, Francis A.

2006-01-01

Numerical simulations are performed for the Apollo capsule from the hypersonic rarefied to the continuum regimes. The focus is on flow conditions similar to those experienced by the Apollo 6 Command Module during the high altitude portion of its reentry. The present focus is to highlight some of the current activities that serve as a precursor for computational tool assessments that will be used to support the development of aerodynamic data bases for future capsule flight environments, particularly those for the Crew Exploration Vehicle (CEV). Results for aerodynamic forces and moments are presented that demonstrate their sensitivity to rarefaction; that is, free molecular to continuum conditions. Also, aerodynamic data are presented that shows their sensitivity to a range of reentry velocities, encompassing conditions that include reentry from low Earth orbit, lunar return, and Mars return velocities (7.7 to 15 km/s). The rarefied results obtained with direct simulation Monte Carlo (DSMC) codes are anchored in the continuum regime with data from Navier-Stokes simulations.

Comparisons of the Maxwell and CLL gas/surface interaction models using DSMC

NASA Technical Reports Server (NTRS)

Hedahl, Marc O.; Wilmoth, Richard G.

1995-01-01

The behavior of two different models of gas-surface interactions is studied using the Direct Simulation Monte Carlo (DSMC) method. The DSMC calculations examine differences in predictions of aerodynamic forces and heat transfer between the Maxwell and the Cercignani-Lampis-Lord (CLL) models for flat plate configurations at freestream conditions corresponding to a 140 km orbit around Venus. The size of the flat plate represents one of the solar panels on the Magellan spacecraft, and the freestream conditions correspond to those experienced during aerobraking maneuvers. Results are presented for both a single flat plate and a two-plate configuration as a function of angle of attack and gas-surface accommodation coefficients. The two-plate system is not representative of the Magellan geometry but is studied to explore possible experiments that might be used to differentiate between the two gas-surface interaction models. The Maxwell and CLL models produce qualitatively similar results for the aerodynamic forces and heat transfer on a single flat plate. However, the flow fields produced with the two models are qualitatively different for both the single-plate and two-plate calculations. These differences in the flowfield lead to predictions of the angle of attack for maximum heat transfer in a two plate configuration that are distinctly different for the two gas-surface interactions models.

Consistent post-reaction vibrational energy redistribution in DSMC simulations using TCE model

NASA Astrophysics Data System (ADS)

Borges Sebastião, Israel; Alexeenko, Alina

2016-10-01

The direct simulation Monte Carlo (DSMC) method has been widely applied to study shockwaves, hypersonic reentry flows, and other nonequilibrium flow phenomena. Although there is currently active research on high-fidelity models based on ab initio data, the total collision energy (TCE) and Larsen-Borgnakke (LB) models remain the most often used chemistry and relaxation models in DSMC simulations, respectively. The conventional implementation of the discrete LB model, however, may not satisfy detailed balance when recombination and exchange reactions play an important role in the flow energy balance. This issue can become even more critical in reacting mixtures involving polyatomic molecules, such as in combustion. In this work, this important shortcoming is addressed and an empirical approach to consistently specify the post-reaction vibrational states close to thermochemical equilibrium conditions is proposed within the TCE framework. Following Bird's quantum-kinetic (QK) methodology for populating post-reaction states, the new TCE-based approach involves two main steps. The state-specific TCE reaction probabilities for a forward reaction are first pre-computed from equilibrium 0-D simulations. These probabilities are then employed to populate the post-reaction vibrational states of the corresponding reverse reaction. The new approach is illustrated by application to exchange and recombination reactions relevant to H2-O2 combustion processes.

Combining DSMC Simulations and ROSINA/COPS Data of Comet 67P/Churyumov-Gerasimenko to Develop a Realistic Empirical Coma Model and to Determine Accurate Production Rates

NASA Astrophysics Data System (ADS)

Hansen, K. C.; Fougere, N.; Bieler, A. M.; Altwegg, K.; Combi, M. R.; Gombosi, T. I.; Huang, Z.; Rubin, M.; Tenishev, V.; Toth, G.; Tzou, C. Y.

2015-12-01

We have previously published results from the AMPS DSMC (Adaptive Mesh Particle Simulator Direct Simulation Monte Carlo) model and its characterization of the neutral coma of comet 67P/Churyumov-Gerasimenko through detailed comparison with data collected by the ROSINA/COPS (Rosetta Orbiter Spectrometer for Ion and Neutral Analysis/COmet Pressure Sensor) instrument aboard the Rosetta spacecraft [Bieler, 2015]. Results from these DSMC models have been used to create an empirical model of the near comet coma (<200 km) of comet 67P. The empirical model characterizes the neutral coma in a comet centered, sun fixed reference frame as a function of heliocentric distance, radial distance from the comet, local time and declination. The model is a significant improvement over more simple empirical models, such as the Haser model. While the DSMC results are a more accurate representation of the coma at any given time, the advantage of a mean state, empirical model is the ease and speed of use. One use of such an empirical model is in the calculation of a total cometary coma production rate from the ROSINA/COPS data. The COPS data are in situ measurements of gas density and velocity along the ROSETTA spacecraft track. Converting the measured neutral density into a production rate requires knowledge of the neutral gas distribution in the coma. Our empirical model provides this information and therefore allows us to correct for the spacecraft location to calculate a production rate as a function of heliocentric distance. We will present the full empirical model as well as the calculated neutral production rate for the period of August 2014 - August 2015 (perihelion).

Uniform rovibrational collisional N2 bin model for DSMC, with application to atmospheric entry flows

NASA Astrophysics Data System (ADS)

Torres, E.; Bondar, Ye. A.; Magin, T. E.

2016-11-01

A state-to-state model for internal energy exchange and molecular dissociation allows for high-fidelity DSMC simulations. Elementary reaction cross sections for the N2 (v, J)+ N system were previously extracted from a quantum-chemical database, originally compiled at NASA Ames Research Center. Due to the high computational cost of simulating the full range of inelastic collision processes (approx. 23 million reactions), a coarse-grain model, called the Uniform RoVibrational Collisional (URVC) bin model can be used instead. This allows to reduce the original 9390 rovibrational levels of N2 to 10 energy bins. In the present work, this reduced model is used to simulate a 2D flow configuration, which more closely reproduces the conditions of high-speed entry into Earth's atmosphere. For this purpose, the URVC bin model had to be adapted for integration into the "Rarefied Gas Dynamics Analysis System" (RGDAS), a separate high-performance DSMC code capable of handling complex geometries and parallel computations. RGDAS was developed at the Institute of Theoretical and Applied Mechanics in Novosibirsk, Russia for use by the European Space Agency (ESA) and shares many features with the well-known SMILE code developed by the same group. We show that the reduced mechanism developed previously can be implemented in RGDAS, and the results exhibit nonequilibrium effects consistent with those observed in previous 1D-simulations.

Modeling of molecular nitrogen collisions and dissociation processes for direct simulation Monte Carlo.

PubMed

Parsons, Neal; Levin, Deborah A; van Duin, Adri C T; Zhu, Tong

2014-12-21

The Direct Simulation Monte Carlo (DSMC) method typically used for simulating hypersonic Earth re-entry flows requires accurate total collision cross sections and reaction probabilities. However, total cross sections are often determined from extrapolations of relatively low-temperature viscosity data, so their reliability is unknown for the high temperatures observed in hypersonic flows. Existing DSMC reaction models accurately reproduce experimental equilibrium reaction rates, but the applicability of these rates to the strong thermal nonequilibrium observed in hypersonic shocks is unknown. For hypersonic flows, these modeling issues are particularly relevant for nitrogen, the dominant species of air. To rectify this deficiency, the Molecular Dynamics/Quasi-Classical Trajectories (MD/QCT) method is used to accurately compute collision and reaction cross sections for the N2(Σg+1)-N2(Σg+1) collision pair for conditions expected in hypersonic shocks using a new potential energy surface developed using a ReaxFF fit to recent advanced ab initio calculations. The MD/QCT-computed reaction probabilities were found to exhibit better physical behavior and predict less dissociation than the baseline total collision energy reaction model for strong nonequilibrium conditions expected in a shock. The MD/QCT reaction model compared well with computed equilibrium reaction rates and shock-tube data. In addition, the MD/QCT-computed total cross sections were found to agree well with established variable hard sphere total cross sections.

Thermal lattice BGK models for fluid dynamics

NASA Astrophysics Data System (ADS)

Huang, Jian

1998-11-01

As an alternative in modeling fluid dynamics, the Lattice Boltzmann method has attracted considerable attention. In this thesis, we shall present a general form of thermal Lattice BGK. This form can handle large differences in density, temperature, and high Mach number. This generalized method can easily model gases with different adiabatic index values. The numerical transport coefficients of this model are estimated both theoretically and numerically. Their dependency on the sizes of integration steps in time and space, and on the flow velocity and temperature, are studied and compared with other established CFD methods. This study shows that the numerical viscosity of the Lattice Boltzmann method depends linearly on the space interval, and on the flow velocity as well for supersonic flow. This indicates this method's limitation in modeling high Reynolds number compressible thermal flow. On the other hand, the Lattice Boltzmann method shows promise in modeling micro-flows, i.e., gas flows in micron-sized devices. A two-dimensional code has been developed based on the conventional thermal lattice BGK model, with some modifications and extensions for micro- flows and wall-fluid interactions. Pressure-driven micro- channel flow has been simulated. Results are compared with experiments and simulations using other methods, such as a spectral element code using slip boundary condition with Navier-Stokes equations and a Direct Simulation Monte Carlo (DSMC) method.

Simulation of thermal transpiration flow using a high-order moment method

NASA Astrophysics Data System (ADS)

Sheng, Qiang; Tang, Gui-Hua; Gu, Xiao-Jun; Emerson, David R.; Zhang, Yong-Hao

2014-04-01

Nonequilibrium thermal transpiration flow is numerically analyzed by an extended thermodynamic approach, a high-order moment method. The captured velocity profiles of temperature-driven flow in a parallel microchannel and in a micro-chamber are compared with available kinetic data or direct simulation Monte Carlo (DSMC) results. The advantages of the high-order moment method are shown as a combination of more accuracy than the Navier-Stokes-Fourier (NSF) equations and less computation cost than the DSMC method. In addition, the high-order moment method is also employed to simulate the thermal transpiration flow in complex geometries in two types of Knudsen pumps. One is based on micro-mechanized channels, where the effect of different wall temperature distributions on thermal transpiration flow is studied. The other relies on porous structures, where the variation of flow rate with a changing porosity or pore surface area ratio is investigated. These simulations can help to optimize the design of a real Knudsen pump.

DSMC Simulation of Separated Flows About Flared Bodies at Hypersonic Conditions

NASA Technical Reports Server (NTRS)

Moss, James N.

2000-01-01

This paper describes the results of a numerical study of interacting hypersonic flows at conditions that can be produced in ground-based test facilities. The computations are made with the direct simulation Monte Carlo (DSMC) method of Bird. The focus is on Mach 10 flows about flared axisymmetric configurations, both hollow cylinder flares and double cones. The flow conditions are those for which experiments have been or will be performed in the ONERA R5Ch low-density wind tunnel and the Calspan-University of Buffalo Research Center (CUBRC) Large Energy National Shock (LENS) tunnel. The range of flow conditions, model configurations, and model sizes provides a significant range of shock/shock and shock/boundary layer interactions at low Reynolds number conditions. Results presented will highlight the sensitivity of the calculations to grid resolution, contrast the differences in flow structure for hypersonic cold flows and those of more energetic but still low enthalpy flows, and compare the present results with experimental measurements for surface heating, pressure, and extent of separation.

Numerical simulation of rarefied gas flow through a slit

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Jeng, Duen-Ren; De Witt, Kenneth J.; Chung, Chan-Hong

1990-01-01

Two different approaches, the finite-difference method coupled with the discrete-ordinate method (FDDO), and the direct-simulation Monte Carlo (DSMC) method, are used in the analysis of the flow of a rarefied gas from one reservoir to another through a two-dimensional slit. The cases considered are for hard vacuum downstream pressure, finite pressure ratios, and isobaric pressure with thermal diffusion, which are not well established in spite of the simplicity of the flow field. In the FDDO analysis, by employing the discrete-ordinate method, the Boltzmann equation simplified by a model collision integral is transformed to a set of partial differential equations which are continuous in physical space but are point functions in molecular velocity space. The set of partial differential equations are solved by means of a finite-difference approximation. In the DSMC analysis, three kinds of collision sampling techniques, the time counter (TC) method, the null collision (NC) method, and the no time counter (NTC) method, are used.

Analysis of Effectiveness of Phoenix Entry Reaction Control System

NASA Technical Reports Server (NTRS)

Dyakonov, Artem A.; Glass, Christopher E.; Desai, Prasun, N.; VanNorman, John W.

2008-01-01

Interaction between the external flowfield and the reaction control system (RCS) thruster plumes of the Phoenix capsule during entry has been investigated. The analysis covered rarefied, transitional, hypersonic and supersonic flight regimes. Performance of pitch, yaw and roll control authority channels was evaluated, with specific emphasis on the yaw channel due to its low nominal yaw control authority. Because Phoenix had already been constructed and its RCS could not be modified before flight, an assessment of RCS efficacy along the trajectory was needed to determine possible issues and to make necessary software changes. Effectiveness of the system at various regimes was evaluated using a hybrid DSMC-CFD technique, based on DSMC Analysis Code (DAC) code and General Aerodynamic Simulation Program (GASP), the LAURA (Langley Aerothermal Upwind Relaxation Algorithm) code, and the FUN3D (Fully Unstructured 3D) code. Results of the analysis at hypersonic and supersonic conditions suggest a significant aero-RCS interference which reduced the efficacy of the thrusters and could likely produce control reversal. Very little aero-RCS interference was predicted in rarefied and transitional regimes. A recommendation was made to the project to widen controller system deadbands to minimize (if not eliminate) the use of RCS thrusters through hypersonic and supersonic flight regimes, where their performance would be uncertain.

A parametric study of Enceladus plumes based on DSMC calculations for retrieving the outgassing parameters as measured by Cassini instruments

NASA Astrophysics Data System (ADS)

Mahieux, Arnaud; Goldstein, David B.; Varghese, Philip; Trafton, Laurence M.

2017-10-01

The vapor and particulate plumes arising from the southern polar regions of Enceladus are a key signature of what lies below the surface. Multiple Cassini instruments (INMS, CDA, CAPS, MAG, UVIS, VIMS, ISS) measured the gas-particle plume over the warm Tiger Stripe region and there have been several close flybys. Numerous observations also exist of the near-vent regions in the visible and the IR. The most likely source for these extensive geysers is a subsurface liquid reservoir of somewhat saline water and other volatiles boiling off through crevasse-like conduits into the vacuum of space.In this work, we use a DSMC code to simulate the plume as it exits a vent, considering axisymmetric conditions, in a vertical domain extending up to 10 km. Above 10 km altitude, the flow is collisionless and well modeled in a separate free molecular code. We perform a DSMC parametric and sensitivity study of the following vent parameters: vent diameter, outgassed flow density, water gas/water ice mass flow ratio, gas and ice speed, and ice grain diameter. We build parametric expressions of the plume characteristics at the 10 km upper boundary (number density, temperature, velocity) that will be used in a Bayesian inversion algorithm in order to constrain source conditions from fits to plume observations by various instruments on board the Cassini spacecraft and assess the parametric sensitivity study.

Molecular gas dynamics applied to low-thrust propulsion

NASA Astrophysics Data System (ADS)

Zelesnik, Donna; Penko, Paul F.; Boyd, Iain D.

1993-11-01

The Direct Simulation Monte Carlo method is currently being applied to study flowfields of small thrusters, including both the internal nozzle and the external plume flow. The DSMC method is employed because of its inherent ability to capture nonequilibrium effects and proper boundary physics in low-density flow that are not readily obtained by continuum methods. Accurate prediction of both the internal and external nozzle flow is important in determining plume expansion which, in turn, bears directly on impingement and contamination effects.

Energy Deposition into a Collisional Gas from Optical Lattices Formed in an Optical Cavity (PREPRINT)

DTIC Science & Technology

2008-07-02

In order to cover a range of molecular species, argon , nitrogen, and methane were used as test gases. The polarizability to mass ratio of these gases...Japan, 21-25 July 2008. 14. ABSTRACT The Direct Simulation Monte Carlo (DSMC) method was used to investigate the interaction between argon ...reducing the maximum temperature. The optimal intervening time was found to be 0.7, 1.0 and 0.25 ns for argon , nitrogen, and methane at one atmosphere

Molecular gas dynamics applied to low-thrust propulsion

NASA Technical Reports Server (NTRS)

Zelesnik, Donna; Penko, Paul F.; Boyd, Iain D.

1993-01-01

The Direct Simulation Monte Carlo method is currently being applied to study flowfields of small thrusters, including both the internal nozzle and the external plume flow. The DSMC method is employed because of its inherent ability to capture nonequilibrium effects and proper boundary physics in low-density flow that are not readily obtained by continuum methods. Accurate prediction of both the internal and external nozzle flow is important in determining plume expansion which, in turn, bears directly on impingement and contamination effects.

Modeling shock waves in an ideal gas: combining the Burnett approximation and Holian's conjecture.

PubMed

He, Yi-Guang; Tang, Xiu-Zhang; Pu, Yi-Kang

2008-07-01

We model a shock wave in an ideal gas by combining the Burnett approximation and Holian's conjecture. We use the temperature in the direction of shock propagation rather than the average temperature in the Burnett transport coefficients. The shock wave profiles and shock thickness are compared with other theories. The results are found to agree better with the nonequilibrium molecular dynamics (NEMD) and direct simulation Monte Carlo (DSMC) data than the Burnett equations and the modified Navier-Stokes theory.

DSMC Simulations of Disturbance Torque to ISS During Airlock Depressurization

NASA Technical Reports Server (NTRS)

Lumpkin, F. E., III; Stewart, B. S.

2015-01-01

The primary attitude control system on the International Space Station (ISS) is part of the United States On-orbit Segment (USOS) and uses Control Moment Gyroscopes (CMG). The secondary system is part of the Russian On orbit Segment (RSOS) and uses a combination of gyroscopes and thrusters. Historically, events with significant disturbances such as the airlock depressurizations associated with extra-vehicular activity (EVA) have been performed using the RSOS attitude control system. This avoids excessive propulsive "de-saturations" of the CMGs. However, transfer of attitude control is labor intensive and requires significant propellant. Predictions employing NASA's DSMC Analysis Code (DAC) of the disturbance torque to the ISS for depressurization of the Pirs airlock on the RSOS will be presented [1]. These predictions were performed to assess the feasibility of using USOS control during these events. The ISS Pirs airlock is vented using a device known as a "T-vent" as shown in the inset in figure 1. By orienting two equal streams of gas in opposite directions, this device is intended to have no propulsive effect. However, disturbance force and torque to the ISS do occur due to plume impingement. The disturbance torque resulting from the Pirs depressurization during EVAs is estimated by using a loosely coupled CFD/DSMC technique [2]. CFD is used to simulate the flow field in the nozzle and the near field plume. DSMC is used to simulate the remaining flow field using the CFD results to create an in flow boundary to the DSMC simulation. Due to the highly continuum nature of flow field near the T-vent, two loosely coupled DSMC domains are employed. An 88.2 cubic meter inner domain contains the Pirs airlock and the T-vent. Inner domain results are used to create an in flow boundary for an outer domain containing the remaining portions of the ISS. Several orientations of the ISS solar arrays and radiators have been investigated to find cases that result in minimal disturbance torque. Figure 1 shows surface pressure contours on the ISS and a plane of number density contours for a particular case.

DSMC simulation of two-phase plume flow with UV radiation

NASA Astrophysics Data System (ADS)

Li, Jie; Liu, Ying; Wang, Ning; Jin, Ling

2014-12-01

Rarefied gas-particle two-phase plume in which the phase of particles is liquid or solid flows from a solid propellant rocket of hypersonic vehicle flying at high altitudes, the aluminum oxide particulates not only impact the rarefied gas flow properties, but also make a great difference to plume radiation signature, so the radiation prediction of the rarefied gas-particle two-phase plume flow is very important for space target detection of hypersonic vehicles. Accordingly, this project aims to study the rarefied gas-particle two-phase flow and ultraviolet radiation (UV) characteristics. Considering a two-way interphase coupling of momentum and energy, the direct simulation Monte Carlo (DSMC) method is developed for particle phase change and the particle flow, including particulate collision, coalescence as well as separation, and a Monte Carlo ray trace model is implemented for the particulate UV radiation. A program for the numerical simulation of the gas-particle two-phase flow and radiation in which the gas flow nonequilibrium is strong is implemented as well. Ultraviolet radiation characteristics of the particle phase is studied based on the calculation of the flow field coupled with the radiation calculation, the radiation model for different size particles is analyzed, focusing on the effects of particle emission, absorption, scattering as well as the searchlight emission of the nozzle. A new approach may be proposed to describe the rarefied gas-particle two-phase plume flow and radiation transfer characteristics in this project.

N-S/DSMC hybrid simulation of hypersonic flow over blunt body including wakes

NASA Astrophysics Data System (ADS)

Li, Zhonghua; Li, Zhihui; Li, Haiyan; Yang, Yanguang; Jiang, Xinyu

2014-12-01

A hybrid N-S/DSMC method is presented and applied to solve the three-dimensional hypersonic transitional flows by employing the MPC (modular Particle-Continuum) technique based on the N-S and the DSMC method. A sub-relax technique is adopted to deal with information transfer between the N-S and the DSMC. The hypersonic flows over a 70-deg spherically blunted cone under different Kn numbers are simulated using the CFD, DSMC and hybrid N-S/DSMC method. The present computations are found in good agreement with DSMC and experimental results. The present method provides an efficient way to predict the hypersonic aerodynamics in near-continuum transitional flow regime.

Demonstration of Hybrid DSMC-CFD Capability for Nonequilibrium Reacting Flow

DTIC Science & Technology

2018-02-09

Lens-XX facility. This flow was chosen since a recent blind-code validation exercise revealed differences in CFD predictions and experimental data... experimental data that could be due to rarefied flow effects. The CFD solutions (using the US3D code) were run with no-slip boundary conditions and with...excellent agreement with that predicted by CFD. This implies that the dif- ference between CFD predictions and experimental data is not due to rarefied

AEROELASTIC SIMULATION TOOL FOR INFLATABLE BALLUTE AEROCAPTURE

NASA Technical Reports Server (NTRS)

Liever, P. A.; Sheta, E. F.; Habchi, S. D.

2006-01-01

A multidisciplinary analysis tool is under development for predicting the impact of aeroelastic effects on the functionality of inflatable ballute aeroassist vehicles in both the continuum and rarefied flow regimes. High-fidelity modules for continuum and rarefied aerodynamics, structural dynamics, heat transfer, and computational grid deformation are coupled in an integrated multi-physics, multi-disciplinary computing environment. This flexible and extensible approach allows the integration of state-of-the-art, stand-alone NASA and industry leading continuum and rarefied flow solvers and structural analysis codes into a computing environment in which the modules can run concurrently with synchronized data transfer. Coupled fluid-structure continuum flow demonstrations were conducted on a clamped ballute configuration. The feasibility of implementing a DSMC flow solver in the simulation framework was demonstrated, and loosely coupled rarefied flow aeroelastic demonstrations were performed. A NASA and industry technology survey identified CFD, DSMC and structural analysis codes capable of modeling non-linear shape and material response of thin-film inflated aeroshells. The simulation technology will find direct and immediate applications with NASA and industry in ongoing aerocapture technology development programs.

Numerical Modeling of Thermal Edge Flow

NASA Astrophysics Data System (ADS)

Ibrayeva, Aizhan

A gas flow can be induced between two interdigitated arrays of thin vanes, when one of the arrays is uniformly heated or cooled. Sharply curved isotherms near the vane edges leads to momentum imbalance among incident particles, which creates Knudsen force to the vane and thermal edge flow in a gas. The flow is observed in a rarefied gas, when the mean free path of the molecules are comparable with the characteristic length scale of the system. In order to understand a physical mechanism of the flow and Knudsen force, the configuration was numerically investigated under different gas rarefication degrees and temperature gradients in the system by direct simulation Monte Carlo (DSMC) method. From simulations, the highest force value is obtained when Knudsen number is around 0.5 and becomes negligible in free molecular and continuum regimes. DSMC results are analyzed from the theoretical point of view and compared to experimental data. Validation of the simulations is done by the RKDG method. An effect of various geometric parameters to the performance of the actuator was investigated and suggestions were made for improved design of the device.

Effect of plasma distribution on propulsion performance in electrodeless plasma thrusters

NASA Astrophysics Data System (ADS)

Takao, Yoshinori; Takase, Kazuki; Takahashi, Kazunori

2016-09-01

A helicon plasma thruster consisting of a helicon plasma source and a magnetic nozzle is one of the candidates for long-lifetime thrusters because no electrodes are employed to generate or accelerate plasma. A recent experiment, however, detected the non-negligible axial momentum lost to the lateral wall boundary, which degrades thruster performance, when the source was operated with highly ionized gases. To investigate this mechanism, we have conducted two-dimensional axisymmetric particle-in-cell (PIC) simulations with the neutral distribution obtained by Direct Simulation Monte Carlo (DSMC) method. The numerical results have indicated that the axially asymmetric profiles of the plasma density and potential are obtained when the strong decay of neutrals occurs at the source downstream. This asymmetric potential profile leads to the accelerated ion towards the lateral wall, leading to the non-negligible net axial force in the opposite direction of the thrust. Hence, to reduce this asymmetric profile by increasing the neutral density at downstream and/or by confining plasma with external magnetic field would result in improvement of the propulsion performance. These effects are also analyzed by PIC/DSMC simulations.

Predictive Modeling in Plasma Reactor and Process Design

NASA Technical Reports Server (NTRS)

Hash, D. B.; Bose, D.; Govindan, T. R.; Meyyappan, M.; Arnold, James O. (Technical Monitor)

1997-01-01

Research continues toward the improvement and increased understanding of high-density plasma tools. Such reactor systems are lauded for their independent control of ion flux and energy enabling high etch rates with low ion damage and for their improved ion velocity anisotropy resulting from thin collisionless sheaths and low neutral pressures. Still, with the transition to 300 mm processing, achieving etch uniformity and high etch rates concurrently may be a formidable task for such large diameter wafers for which computational modeling can play an important role in successful reactor and process design. The inductively coupled plasma (ICP) reactor is the focus of the present investigation. The present work attempts to understand the fundamental physical phenomena of such systems through computational modeling. Simulations will be presented using both computational fluid dynamics (CFD) techniques and the direct simulation Monte Carlo (DSMC) method for argon and chlorine discharges. ICP reactors generally operate at pressures on the order of 1 to 10 mTorr. At such low pressures, rarefaction can be significant to the degree that the constitutive relations used in typical CFD techniques become invalid and a particle simulation must be employed. This work will assess the extent to which CFD can be applied and evaluate the degree to which accuracy is lost in prediction of the phenomenon of interest; i.e., etch rate. If the CFD approach is found reasonably accurate and bench-marked with DSMC and experimental results, it has the potential to serve as a design tool due to the rapid time relative to DSMC. The continuum CFD simulation solves the governing equations for plasma flow using a finite difference technique with an implicit Gauss-Seidel Line Relaxation method for time marching toward a converged solution. The equation set consists of mass conservation for each species, separate energy equations for the electrons and heavy species, and momentum equations for the gas. The sheath is modeled by imposing the Bohm velocity to the ions near the walls. The DSMC method simulates each constituent of the gas as a separate species which would be analogous in CFD to employing separate species mass, momentum, and energy equations. All particles including electrons are moved and allowed to collide with one another with the stipulation that the electrons remain tied to the ions consistent with the concept of ambipolar diffusion. The velocities of the electrons are allowed to be modified during collisions and are not confined to a Maxwellian distribution. These benefits come at a price in terms of computational time and memory. The DSMC and CFD are made as consistent as possible by using similar chemistry and power deposition models. Although the comparison of CFD and DSMC is interesting, the main goal of this work is the increased understanding of high-density plasma flowfields that can then direct improvements in both techniques. This work is unique in the level of the physical models employed in both the DSMC and CFD for high-density plasma reactor applications. For example, the electrons are simulated in the present DSMC work which has not been done before for low temperature plasma processing problems. In the CFD approach, for the first time, the charged particle transport (discharge physics) has been self-consistently coupled to the gas flow and heat transfer.

Implementation of unsteady sampling procedures for the parallel direct simulation Monte Carlo method

NASA Astrophysics Data System (ADS)

Cave, H. M.; Tseng, K.-C.; Wu, J.-S.; Jermy, M. C.; Huang, J.-C.; Krumdieck, S. P.

2008-06-01

An unsteady sampling routine for a general parallel direct simulation Monte Carlo method called PDSC is introduced, allowing the simulation of time-dependent flow problems in the near continuum range. A post-processing procedure called DSMC rapid ensemble averaging method (DREAM) is developed to improve the statistical scatter in the results while minimising both memory and simulation time. This method builds an ensemble average of repeated runs over small number of sampling intervals prior to the sampling point of interest by restarting the flow using either a Maxwellian distribution based on macroscopic properties for near equilibrium flows (DREAM-I) or output instantaneous particle data obtained by the original unsteady sampling of PDSC for strongly non-equilibrium flows (DREAM-II). The method is validated by simulating shock tube flow and the development of simple Couette flow. Unsteady PDSC is found to accurately predict the flow field in both cases with significantly reduced run-times over single processor code and DREAM greatly reduces the statistical scatter in the results while maintaining accurate particle velocity distributions. Simulations are then conducted of two applications involving the interaction of shocks over wedges. The results of these simulations are compared to experimental data and simulations from the literature where there these are available. In general, it was found that 10 ensembled runs of DREAM processing could reduce the statistical uncertainty in the raw PDSC data by 2.5-3.3 times, based on the limited number of cases in the present study.

Nonequilibrium diffusive gas dynamics: Poiseuille microflow

NASA Astrophysics Data System (ADS)

Abramov, Rafail V.; Otto, Jasmine T.

2018-05-01

We test the recently developed hierarchy of diffusive moment closures for gas dynamics together with the near-wall viscosity scaling on the Poiseuille flow of argon and nitrogen in a one micrometer wide channel, and compare it against the corresponding Direct Simulation Monte Carlo computations. We find that the diffusive regularized Grad equations with viscosity scaling provide the most accurate approximation to the benchmark DSMC results. At the same time, the conventional Navier-Stokes equations without the near-wall viscosity scaling are found to be the least accurate among the tested closures.

DSMC modeling of flows with recombination reactions

NASA Astrophysics Data System (ADS)

Gimelshein, Sergey; Wysong, Ingrid

2017-06-01

An empirical microscopic recombination model is developed for the direct simulation Monte Carlo method that complements the extended weak vibrational bias model of dissociation. The model maintains the correct equilibrium reaction constant in a wide range of temperatures by using the collision theory to enforce the number of recombination events. It also strictly follows the detailed balance requirement for equilibrium gas. The model and its implementation are verified with oxygen and nitrogen heat bath relaxation and compared with available experimental data on atomic oxygen recombination in argon and molecular nitrogen.

A Fokker-Planck based kinetic model for diatomic rarefied gas flows

NASA Astrophysics Data System (ADS)

Gorji, M. Hossein; Jenny, Patrick

2013-06-01

A Fokker-Planck based kinetic model is presented here, which also accounts for internal energy modes characteristic for diatomic gas molecules. The model is based on a Fokker-Planck approximation of the Boltzmann equation for monatomic molecules, whereas phenomenological principles were employed for the derivation. It is shown that the model honors the equipartition theorem in equilibrium and fulfills the Landau-Teller relaxation equations for internal degrees of freedom. The objective behind this approximate kinetic model is accuracy at reasonably low computational cost. This can be achieved due to the fact that the resulting stochastic differential equations are continuous in time; therefore, no collisions between the simulated particles have to be calculated. Besides, because of the devised energy conserving time integration scheme, it is not required to resolve the collisional scales, i.e., the mean collision time and the mean free path of molecules. This, of course, gives rise to much more efficient simulations with respect to other particle methods, especially the conventional direct simulation Monte Carlo (DSMC), for small and moderate Knudsen numbers. To examine the new approach, first the computational cost of the model was compared with respect to DSMC, where significant speed up could be obtained for small Knudsen numbers. Second, the structure of a high Mach shock (in nitrogen) was studied, and the good performance of the model for such out of equilibrium conditions could be demonstrated. At last, a hypersonic flow of nitrogen over a wedge was studied, where good agreement with respect to DSMC (with level to level transition model) for vibrational and translational temperatures is shown.

DSMC Simulations of High Mach Number Taylor-Couette Flow

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev

2017-11-01

The main focus of this work is to characterise the Taylor-Couette flow of an ideal gas between two coaxial cylinders at Mach number Ma =(Uw /√{ kbTw / m }) in the range 0.01

Plume-Free Stream Interaction Heating Effects During Orion Crew Module Reentry

NASA Technical Reports Server (NTRS)

Marichalar, J.; Lumpkin, F.; Boyles, K.

2012-01-01

During reentry of the Orion Crew Module (CM), vehicle attitude control will be performed by firing reaction control system (RCS) thrusters. Simulation of RCS plumes and their interaction with the oncoming flow has been difficult for the analysis community due to the large scarf angles of the RCS thrusters and the unsteady nature of the Orion capsule backshell environments. The model for the aerothermal database has thus relied on wind tunnel test data to capture the heating effects of thruster plume interactions with the freestream. These data are only valid for the continuum flow regime of the reentry trajectory. A Direct Simulation Monte Carlo (DSMC) analysis was performed to study the vehicle heating effects that result from the RCS thruster plume interaction with the oncoming freestream flow at high altitudes during Orion CM reentry. The study was performed with the DSMC Analysis Code (DAC). The inflow boundary conditions for the jets were obtained from Data Parallel Line Relaxation (DPLR) computational fluid dynamics (CFD) solutions. Simulations were performed for the roll, yaw, pitch-up and pitch-down jets at altitudes of 105 km, 125 km and 160 km as well as vacuum conditions. For comparison purposes (see Figure 1), the freestream conditions were based on previous DAC simulations performed without active RCS to populate the aerodynamic database for the Orion CM. Other inputs to the analysis included a constant Orbital reentry velocity of 7.5 km/s and angle of attack of 160 degrees. The results of the study showed that the interaction effects decrease quickly with increasing altitude. Also, jets with highly scarfed nozzles cause more severe heating compared to the nozzles with lower scarf angles. The difficulty of performing these simulations was based on the maximum number density and the ratio of number densities between the freestream and the plume for each simulation. The lowest altitude solutions required a substantial amount of computational resources (up to 1800 processors) to simulate approximately 2 billion molecules for the refined (adapted) solutions.

Axisymmetric Implementation for 3D-Based DSMC Codes

NASA Technical Reports Server (NTRS)

Stewart, Benedicte; Lumpkin, F. E.; LeBeau, G. J.

2011-01-01

The primary objective in developing NASA s DSMC Analysis Code (DAC) was to provide a high fidelity modeling tool for 3D rarefied flows such as vacuum plume impingement and hypersonic re-entry flows [1]. The initial implementation has been expanded over time to offer other capabilities including a novel axisymmetric implementation. Because of the inherently 3D nature of DAC, this axisymmetric implementation uses a 3D Cartesian domain and 3D surfaces. Molecules are moved in all three dimensions but their movements are limited by physical walls to a small wedge centered on the plane of symmetry (Figure 1). Unfortunately, far from the axis of symmetry, the cell size in the direction perpendicular to the plane of symmetry (the Z-direction) may become large compared to the flow mean free path. This frequently results in inaccuracies in these regions of the domain. A new axisymmetric implementation is presented which aims to solve this issue by using Bird s approach for the molecular movement while preserving the 3D nature of the DAC software [2]. First, the computational domain is similar to that previously used such that a wedge must still be used to define the inflow surface and solid walls within the domain. As before molecules are created inside the inflow wedge triangles but they are now rotated back to the symmetry plane. During the move step, molecules are moved in 3D but instead of interacting with the wedge walls, the molecules are rotated back to the plane of symmetry at the end of the move step. This new implementation was tested for multiple flows over axisymmetric shapes, including a sphere, a cone, a double cone and a hollow cylinder. Comparisons to previous DSMC solutions and experiments, when available, are made.

Transport and Distribution of Hydroxyl Radicals and Oxygen Atoms from H2O Photodissociation in the Inner Coma of Comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Lai, Ian-Lin; Su, Cheng-Chin; Ip, Wing-Huen; Wei, Chen-En; Wu, Jong-Shinn; Lo, Ming-Chung; Liao, Ying; Thomas, Nicolas

2016-03-01

With a combination of the Direct Simulation Monte Carlo (DSMC) calculation and test particle computation, the ballistic transport process of the hydroxyl radicals and oxygen atoms produced by photodissociation of water molecules in the coma of comet 67P/Churyumov-Gerasimenko is modelled. We discuss the key elements and essential features of such simulations which results can be compared with the remote-sensing and in situ measurements of cometary gas coma from the Rosetta mission at different orbital phases of this comet.

Numerical Simulation of Transitional, Hypersonic Flows using a Hybrid Particle-Continuum Method

NASA Astrophysics Data System (ADS)

Verhoff, Ashley Marie

Analysis of hypersonic flows requires consideration of multiscale phenomena due to the range of flight regimes encountered, from rarefied conditions in the upper atmosphere to fully continuum flow at low altitudes. At transitional Knudsen numbers there are likely to be localized regions of strong thermodynamic nonequilibrium effects that invalidate the continuum assumptions of the Navier-Stokes equations. Accurate simulation of these regions, which include shock waves, boundary and shear layers, and low-density wakes, requires a kinetic theory-based approach where no prior assumptions are made regarding the molecular distribution function. Because of the nature of these types of flows, there is much to be gained in terms of both numerical efficiency and physical accuracy by developing hybrid particle-continuum simulation approaches. The focus of the present research effort is the continued development of the Modular Particle-Continuum (MPC) method, where the Navier-Stokes equations are solved numerically using computational fluid dynamics (CFD) techniques in regions of the flow field where continuum assumptions are valid, and the direct simulation Monte Carlo (DSMC) method is used where strong thermodynamic nonequilibrium effects are present. Numerical solutions of transitional, hypersonic flows are thus obtained with increased physical accuracy relative to CFD alone, and improved numerical efficiency is achieved in comparison to DSMC alone because this more computationally expensive method is restricted to those regions of the flow field where it is necessary to maintain physical accuracy. In this dissertation, a comprehensive assessment of the physical accuracy of the MPC method is performed, leading to the implementation of a non-vacuum supersonic outflow boundary condition in particle domains, and more consistent initialization of DSMC simulator particles along hybrid interfaces. The relative errors between MPC and full DSMC results are greatly reduced as a direct result of these improvements. Next, a new parameter for detecting rotational nonequilibrium effects is proposed and shown to offer advantages over other continuum breakdown parameters, achieving further accuracy gains. Lastly, the capabilities of the MPC method are extended to accommodate multiple chemical species in rotational nonequilibrium, each of which is allowed to equilibrate independently, enabling application of the MPC method to more realistic atmospheric flows.

Molecular simulation of small Knudsen number flows

NASA Astrophysics Data System (ADS)

Fei, Fei; Fan, Jing

2012-11-01

The direct simulation Monte Carlo (DSMC) method is a powerful particle-based method for modeling gas flows. It works well for relatively large Knudsen (Kn) numbers, typically larger than 0.01, but quickly becomes computationally intensive as Kn decreases due to its time step and cell size limitations. An alternative approach was proposed to relax or remove these limitations, based on replacing pairwise collisions with a stochastic model corresponding to the Fokker-Planck equation [J. Comput. Phys., 229, 1077 (2010); J. Fluid Mech., 680, 574 (2011)]. Similar to the DSMC method, the downside of that approach suffers from computationally statistical noise. To solve the problem, a diffusion-based information preservation (D-IP) method has been developed. The main idea is to track the motion of a simulated molecule from the diffusive standpoint, and obtain the flow velocity and temperature through sampling and averaging the IP quantities. To validate the idea and the corresponding model, several benchmark problems with Kn ˜ 10-3-10-4 have been investigated. It is shown that the IP calculations are not only accurate, but also efficient because they make possible using a time step and cell size over an order of magnitude larger than the mean collision time and mean free path, respectively.

Study of cluster behavior in the riser of CFB by the DSMC method

NASA Astrophysics Data System (ADS)

Liu, H. P.; Liu, D. Y.; Liu, H.

2010-03-01

The flow behaviors of clusters in the riser of a two-dimensional (2D) circulating fluidized bed was numerically studied based on the Euler-Lagrangian approach. Gas turbulence was modeled by means of Large Eddy Simulation (LES). Particle collision was modeled by means of the direct simulation Monte Carlo (DSMC) method. Clusters' hydrodynamic characteristics are obtained using a cluster identification method proposed by sharrma et al. (2000). The descending clusters near the wall region and the up- and down-flowing clusters in the core were studied separately due to their different flow behaviors. The effects of superficial gas velocity on the cluster behavior were analyzed. Simulated results showed that near wall clusters flow downward and the descent velocity is about -45 cm/s. The occurrence frequency of the up-flowing cluster is higher than that of down-flowing cluster in the core of riser. With the increase of superficial gas velocity, the solid concentration and occurrence frequency of clusters decrease, while the cluster axial velocity increase. Simulated results were in agreement with experimental data. The stochastic method used in present paper is feasible for predicting the cluster flow behavior in CFBs.

Rarefied flow past a flat plate at incidence

NASA Technical Reports Server (NTRS)

Dogra, Virendra K.; Moss, James N.; Price, Joseph M.

1988-01-01

Results of a numerical study using the direct simulation Monte Carlo (DSMC) method are presented for the transitional flow about a flat plate at 40 deg incidence. The plate has zero thickness and a length of 1.0 m. The flow conditions simulated are those experienced by the Shuttle Orbiter during reentry at 7.5 km/s. The range of freestream conditions are such that the freestream Knudsen number values are between 0.02 and 8.4, i.e., conditions that encompass most of the transitional flow regime. The DSMC simulations show that transitional effects are evident when compared with free molecule results for all cases considered. The calculated results demonstrate clearly the necessity of having a means of identifying the effects of transitional flow when making aerodynamic flight measurements as are currently being made with the Space Shuttle Orbiter vehicles. Previous flight data analyses have relied exclusively on adjustments in the gas-surface interaction models without accounting for the transitional effect which can be comparable in magnitude. The present calculations show that the transitional effect at 175 km would increase the Space Shuttle Orbiter lift-drag ratio by 90 percent over the free molecule value.

Collisional spreading of Enceladus’ neutral cloud

NASA Astrophysics Data System (ADS)

Cassidy, T. A.; Johnson, R. E.

2010-10-01

We describe a direct simulation Monte Carlo (DSMC) model of Enceladus' neutral cloud and compare its results to observations of OH and O orbiting Saturn. The OH and O are observed far from Enceladus (at 3.95 R S), as far out as 25 R S for O. Previous DSMC models attributed this breadth primarily to ion/neutral scattering (including charge exchange) and molecular dissociation. However, the newly reported O observations and a reinterpretation of the OH observations (Melin, H., Shemansky, D.E., Liu, X. [2009] Planet. Space Sci., 57, 1743-1753, PS&S) showed that the cloud is broader than previously thought. We conclude that the addition of neutral/neutral scattering (Farmer, A.J. [2009] Icarus, 202, 280-286), which was underestimated by previous models, brings the model results in line with the new observations. Neutral/neutral collisions primarily happen in the densest part of the cloud, near Enceladus' orbit, but contribute to the spreading by pumping up orbital eccentricity. Based on the cloud model presented here Enceladus maybe the ultimate source of oxygen for the upper atmospheres of Titan and Saturn. We also predict that large quantities of OH, O and H 2O bombard Saturn's icy satellites.

Monte Carlo simulation of a near-continuum shock-shock interaction problem

NASA Technical Reports Server (NTRS)

Carlson, Ann B.; Wilmoth, Richard G.

1992-01-01

A complex shock interaction is calculated with direct simulation Monte Carlo (DSMC). The calculation is performed for the near-continuum flow produced when an incident shock impinges on the bow shock of a 0.1 in. radius cowl lip for freestream conditions of approximately Mach 15 and 35 km altitude. Solutions are presented both for a full finite-rate chemistry calculation and for a case with chemical reactions suppressed. In each case, both the undisturbed flow about the cowl lip and the full shock interaction flowfields are calculated. Good agreement has been obtained between the no-chemistry simulation of the undisturbed flow and a perfect gas solution obtained with the viscous shock-layer method. Large differences in calculated surface properties when different chemical models are used demonstrate the necessity of adequately representing the chemistry when making surface property predictions. Preliminary grid refinement studies make it possible to estimate the accuracy of the solutions.

Heavy particle transport in sputtering systems

NASA Astrophysics Data System (ADS)

Trieschmann, Jan

2015-09-01

This contribution aims to discuss the theoretical background of heavy particle transport in plasma sputtering systems such as direct current magnetron sputtering (dcMS), high power impulse magnetron sputtering (HiPIMS), or multi frequency capacitively coupled plasmas (MFCCP). Due to inherently low process pressures below one Pa only kinetic simulation models are suitable. In this work a model appropriate for the description of the transport of film forming particles sputtered of a target material has been devised within the frame of the OpenFOAM software (specifically dsmcFoam). The three dimensional model comprises of ejection of sputtered particles into the reactor chamber, their collisional transport through the volume, as well as deposition of the latter onto the surrounding surfaces (i.e. substrates, walls). An angular dependent Thompson energy distribution fitted to results from Monte-Carlo simulations is assumed initially. Binary collisions are treated via the M1 collision model, a modified variable hard sphere (VHS) model. The dynamics of sputtered and background gas species can be resolved self-consistently following the direct simulation Monte-Carlo (DSMC) approach or, whenever possible, simplified based on the test particle method (TPM) with the assumption of a constant, non-stationary background at a given temperature. At the example of an MFCCP research reactor the transport of sputtered aluminum is specifically discussed. For the peculiar configuration and under typical process conditions with argon as process gas the transport of aluminum sputtered of a circular target is shown to be governed by a one dimensional interaction of the imposed and backscattered particle fluxes. The results are analyzed and discussed on the basis of the obtained velocity distribution functions (VDF). This work is supported by the German Research Foundation (DFG) in the frame of the Collaborative Research Centre TRR 87.

Spectral fitting, shock layer modeling, and production of nitrogen oxides and excited nitrogen

NASA Technical Reports Server (NTRS)

Blackwell, H. E.

1991-01-01

An analysis was made of N2 emission from 8.72 MJ/kg shock layer at 2.54, 1.91, and 1.27 cm positions and vibrational state distributions, temperatures, and relative electronic state populations was obtained from data sets. Other recorded arc jet N2 and air spectral data were reviewed and NO emission characteristics were studied. A review of operational procedures of the DSMC code was made. Information on other appropriate codes and modifications, including ionization, were made as well as a determination of the applicability of codes reviewed to task requirement. A review was also made of computational procedures used in CFD codes of Li and other codes on JSC computers. An analysis was made of problems associated with integration of specific chemical kinetics applicable to task into CFD codes.

DSMC Evaluation of the Navier-Stokes Shear Viscosity of a Granular Fluid

DTIC Science & Technology

2005-07-13

transport coefficients of the HCS have been measured from DSMC by using the associated Green – Kubo formulas [8]. In the case of a system heated by the action...DSMC evaluation of the Navier–Stokes shear viscosity of a granular fluid José María Montanero∗, Andrés Santos† and Vicente Garzó† ∗Departamento de...proposed to measure the Navier–Stokes shear viscosity in a granular fluid described by the Enskog equation. The method is implemented in DSMC

DSMC Simulations in Support of the Columbia Shuttle Orbiter Accident Investigation

NASA Technical Reports Server (NTRS)

Boyles, Katie; LeBeau, Gerald J.; Gallis, Michael A.

2004-01-01

Three-dimensional Direct Simulation Monte Carlo simulations of Columbia Shuttle Orbiter flight STS-107 are presented. The aim of this work is to determine the aerodynamic and heating behavior of the Orbiter during aerobraking maneuvers and to provide piecewise integration of key scenario events to assess the plausibility of the candidate failure scenarios. The flight of the Orbiter is examined at two altitudes: 350-kft and 300-kft. The flowfield around the Orbiter and the heat transfer to it are calculated for the undamaged configuration. The flow inside the wing for an assumed damage to the leading edge in the form of a 10- inch hole is studied.

Direct simulation with vibration-dissociation coupling

NASA Technical Reports Server (NTRS)

Hash, David B.; Hassan, H. A.

1992-01-01

The majority of implementations of the Direct Simulation Monte Carlo (DSMC) method of Bird do not account for vibration-dissociation coupling. Haas and Boyd have proposed the vibrationally-favored dissociation model to accomplish this task. This model requires measurements of induction distance to determine model constants. A more general expression has been derived that does not require any experimental input. The model is used to calculate one-dimensional shock waves in nitrogen and the flow past a lunar transfer vehicle (LTV). For the conditions considered in the simulation, the influence of vibration-dissociation coupling on heat transfer in the stagnation region of the LTV can be significant.

N2 Temperature of Vibration instrument for sounding rocket observation in the lower thermosphere

NASA Astrophysics Data System (ADS)

Kurihara, J.; Iwagami, N.; Oyama, K.-I.

2013-11-01

The N2 Temperature of Vibration (NTV) instrument was developed to study energetics and structure of the lower thermosphere, applying the Electron Beam Fluorescence (EBF) technique to measurements of vibrational temperature, rotational temperature and number density of atmospheric N2. The sounding rocket experiments using this instrument have been conducted four times, including one failure of the electron gun. Aerodynamic effects on the measurement caused by the supersonic motion of the rocket were analyzed quantitatively using three-dimensional simulation of Direct Simulation Monte Carlo (DSMC) method, and the absolute density profile was obtained through the correction of the spin modulation.

Hypersonic separated flows about "tick" configurations with sensitivity to model design

NASA Astrophysics Data System (ADS)

Moss, J. N.; O'Byrne, S.; Gai, S. L.

2014-12-01

This paper presents computational results obtained by applying the direct simulation Monte Carlo (DSMC) method for hypersonic nonequilibrium flow about "tick-shaped" model configurations. These test models produces a complex flow where the nonequilibrium and rarefied aspects of the flow are initially enhanced as the flow passes over an expansion surface, and then the flow encounters a compression surface that can induce flow separation. The resulting flow is such that meaningful numerical simulations must have the capability to account for a significant range of rarefaction effects; hence the application of the DSMC method in the current study as the flow spans several flow regimes, including transitional, slip, and continuum. The current focus is to examine the sensitivity of both the model surface response (heating, friction and pressure) and flowfield structure to assumptions regarding surface boundary conditions and more extensively the impact of model design as influenced by leading edge configuration as well as the geometrical features of the expansion and compression surfaces. Numerical results indicate a strong sensitivity to both the extent of the leading edge sharpness and the magnitude of the leading edge bevel angle. Also, the length of the expansion surface for a fixed compression surface has a significant impact on the extent of separated flow.

A diffusive information preservation method for small Knudsen number flows

NASA Astrophysics Data System (ADS)

Fei, Fei; Fan, Jing

2013-06-01

The direct simulation Monte Carlo (DSMC) method is a powerful particle-based method for modeling gas flows. It works well for relatively large Knudsen (Kn) numbers, typically larger than 0.01, but quickly becomes computationally intensive as Kn decreases due to its time step and cell size limitations. An alternative approach was proposed to relax or remove these limitations, based on replacing pairwise collisions with a stochastic model corresponding to the Fokker-Planck equation [J. Comput. Phys., 229, 1077 (2010); J. Fluid Mech., 680, 574 (2011)]. Similar to the DSMC method, the downside of that approach suffers from computationally statistical noise. To solve the problem, a diffusion-based information preservation (D-IP) method has been developed. The main idea is to track the motion of a simulated molecule from the diffusive standpoint, and obtain the flow velocity and temperature through sampling and averaging the IP quantities. To validate the idea and the corresponding model, several benchmark problems with Kn ˜ 10-3-10-4 have been investigated. It is shown that the IP calculations are not only accurate, but also efficient because they make possible using a time step and cell size over an order of magnitude larger than the mean collision time and mean free path, respectively.

Hypersonic Separated Flows About "Tick" Configurations With Sensitivity to Model Design

NASA Technical Reports Server (NTRS)

Moss, J. N.; O'Byrne, S.; Gai, S. L.

2014-01-01

This paper presents computational results obtained by applying the direct simulation Monte Carlo (DSMC) method for hypersonic nonequilibrium flow about "tick-shaped" model configurations. These test models produces a complex flow where the nonequilibrium and rarefied aspects of the flow are initially enhanced as the flow passes over an expansion surface, and then the flow encounters a compression surface that can induce flow separation. The resulting flow is such that meaningful numerical simulations must have the capability to account for a significant range of rarefaction effects; hence the application of the DSMC method in the current study as the flow spans several flow regimes, including transitional, slip, and continuum. The current focus is to examine the sensitivity of both the model surface response (heating, friction and pressure) and flowfield structure to assumptions regarding surface boundary conditions and more extensively the impact of model design as influenced by leading edge configuration as well as the geometrical features of the expansion and compression surfaces. Numerical results indicate a strong sensitivity to both the extent of the leading edge sharpness and the magnitude of the leading edge bevel angle. Also, the length of the expansion surface for a fixed compression surface has a significant impact on the extent of separated flow.

Evaluation of new collision-pair selection models in DSMC

NASA Astrophysics Data System (ADS)

Akhlaghi, Hassan; Roohi, Ehsan

2017-10-01

The current paper investigates new collision-pair selection procedures in a direct simulation Monte Carlo (DSMC) method. Collision partner selection based on the random procedure from nearest neighbor particles and deterministic selection of nearest neighbor particles have already been introduced as schemes that provide accurate results in a wide range of problems. In the current research, new collision-pair selections based on the time spacing and direction of the relative movement of particles are introduced and evaluated. Comparisons between the new and existing algorithms are made considering appropriate test cases including fluctuations in homogeneous gas, 2D equilibrium flow, and Fourier flow problem. Distribution functions for number of particles and collisions in cell, velocity components, and collisional parameters (collision separation, time spacing, relative velocity, and the angle between relative movements of particles) are investigated and compared with existing analytical relations for each model. The capability of each model in the prediction of the heat flux in the Fourier problem at different cell numbers, numbers of particles, and time steps is examined. For new and existing collision-pair selection schemes, the effect of an alternative formula for the number of collision-pair selections and avoiding repetitive collisions are investigated via the prediction of the Fourier heat flux. The simulation results demonstrate the advantages and weaknesses of each model in different test cases.

Lattice Boltzmann simulation of nonequilibrium effects in oscillatory gas flow.

PubMed

Tang, G H; Gu, X J; Barber, R W; Emerson, D R; Zhang, Y H

2008-08-01

Accurate evaluation of damping in laterally oscillating microstructures is challenging due to the complex flow behavior. In addition, device fabrication techniques and surface properties will have an important effect on the flow characteristics. Although kinetic approaches such as the direct simulation Monte Carlo (DSMC) method and directly solving the Boltzmann equation can address these challenges, they are beyond the reach of current computer technology for large scale simulation. As the continuum Navier-Stokes equations become invalid for nonequilibrium flows, we take advantage of the computationally efficient lattice Boltzmann method to investigate nonequilibrium oscillating flows. We have analyzed the effects of the Stokes number, Knudsen number, and tangential momentum accommodation coefficient for oscillating Couette flow and Stokes' second problem. Our results are in excellent agreement with DSMC data for Knudsen numbers up to Kn=O(1) and show good agreement for Knudsen numbers as large as 2.5. In addition to increasing the Stokes number, we demonstrate that increasing the Knudsen number or decreasing the accommodation coefficient can also expedite the breakdown of symmetry for oscillating Couette flow. This results in an earlier transition from quasisteady to unsteady flow. Our paper also highlights the deviation in velocity slip between Stokes' second problem and the confined Couette case.

A study of internal energy relaxation in shocks using molecular dynamics based models

NASA Astrophysics Data System (ADS)

Li, Zheng; Parsons, Neal; Levin, Deborah A.

2015-10-01

Recent potential energy surfaces (PESs) for the N2 + N and N2 + N2 systems are used in molecular dynamics (MD) to simulate rates of vibrational and rotational relaxations for conditions that occur in hypersonic flows. For both chemical systems, it is found that the rotational relaxation number increases with the translational temperature and decreases as the rotational temperature approaches the translational temperature. The vibrational relaxation number is observed to decrease with translational temperature and approaches the rotational relaxation number in the high temperature region. The rotational and vibrational relaxation numbers are generally larger in the N2 + N2 system. MD-quasi-classical trajectory (QCT) with the PESs is also used to calculate the V-T transition cross sections, the collision cross section, and the dissociation cross section for each collision pair. Direct simulation Monte Carlo (DSMC) results for hypersonic flow over a blunt body with the total collision cross section from MD/QCT simulations, Larsen-Borgnakke with new relaxation numbers, and the N2 dissociation rate from MD/QCT show a profile with a decreased translational temperature and a rotational temperature close to vibrational temperature. The results demonstrate that many of the physical models employed in DSMC should be revised as fundamental potential energy surfaces suitable for high temperature conditions become available.

DSMC simulations of shock tube experiments for the dissociation rate of nitrogen

NASA Astrophysics Data System (ADS)

Bird, G. A.

2012-11-01

The DSMC method has been used to simulate the flow associated with several experiments that led to predictions of the dissociation rate in nitrogen. One involved optical interferometry to determine the density behind strong shock wave and the other involved the measurement of the shock tube end-wall pressure after the reflection of a similar shock wave. DSMC calculations for the un-reflected shock wave were made with the older TCE model that converts rate coefficients to reaction cross-sections, with the newer Q-K model that predicts the rates and with a set of reaction cross-sections for nitrogen dissociation from QCT calculations. A comparison of the resulting density profiles with the measured profile provides a test of the validity of the DSMC chemistry models. The DSMC reaction rates were sampled directly in the DSMC calculation, both far downstream where the flow is in equilibrium and in the non-equilibrium region immediately behind the shock. This permits a critical evaluation of data reduction procedures that were employed to deduce the dissociation rate from the measured quantities.

Sensitivity analysis of the Gupta and Park chemical models on the heat flux by DSMC and CFD codes

NASA Astrophysics Data System (ADS)

Morsa, Luigi; Festa, Giandomenico; Zuppardi, Gennaro

2012-11-01

The present study is the logical continuation of a former paper by the first author in which the influence of the chemical models by Gupta and by Park on the computation of heat flux on the Orion and EXPERT capsules was evaluated. Tests were carried out by the direct simulation Monte Carlo code DS2V and by the computational fluiddynamic (CFD) code H3NS. DS2V implements the Gupta model, while H3NS implements the Park model. In order to compare the effects of the chemical models, the Park model was implemented also in DS2V. The results showed that DS2V and H3NS compute a different composition both in the flow field and on the surface, even using the same chemical model (Park). Furthermore DS2V computes, by the two chemical models, different compositions in the flow field but the same composition on the surface, therefore the same heat flux. In the present study, in order to evaluate the influence of these chemical models also in a CFD code, the Gupta and the Park models have been implemented in FLUENT. Tests by DS2V and by FLUENT, have been carried out for the EXPERT capsule at the altitude of 70 km and with velocity of 5000 m/s. The capsule experiences a hypersonic, continuum low density regime. Due to the energy level of the flow, the vibration equation, lacking in the original version of FLUENT, has been implemented. The results of the heat flux computation verify that FLUENT is quite sensitive to the Gupta and to the Park chemical models. In fact, at the stagnation point, the percentage difference between the models is about 13%. On the opposite the DS2V results by the two models are practically equivalent.

Assessment of predictive capabilities for aerodynamic heating in hypersonic flow

NASA Astrophysics Data System (ADS)

Knight, Doyle; Chazot, Olivier; Austin, Joanna; Badr, Mohammad Ali; Candler, Graham; Celik, Bayram; Rosa, Donato de; Donelli, Raffaele; Komives, Jeffrey; Lani, Andrea; Levin, Deborah; Nompelis, Ioannis; Panesi, Marco; Pezzella, Giuseppe; Reimann, Bodo; Tumuklu, Ozgur; Yuceil, Kemal

2017-04-01

The capability for CFD prediction of hypersonic shock wave laminar boundary layer interaction was assessed for a double wedge model at Mach 7.1 in air and nitrogen at 2.1 MJ/kg and 8 MJ/kg. Simulations were performed by seven research organizations encompassing both Navier-Stokes and Direct Simulation Monte Carlo (DSMC) methods as part of the NATO STO AVT Task Group 205 activity. Comparison of the CFD simulations with experimental heat transfer and schlieren visualization suggest the need for accurate modeling of the tunnel startup process in short-duration hypersonic test facilities, and the importance of fully 3-D simulations of nominally 2-D (i.e., non-axisymmmetric) experimental geometries.

Pre- and Post-equinox ROSINA production rates calculated using a realistic empirical coma model derived from AMPS-DSMC simulations of comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Hansen, Kenneth; Altwegg, Kathrin; Berthelier, Jean-Jacques; Bieler, Andre; Calmonte, Ursina; Combi, Michael; De Keyser, Johan; Fiethe, Björn; Fougere, Nicolas; Fuselier, Stephen; Gombosi, Tamas; Hässig, Myrtha; Huang, Zhenguang; Le Roy, Lena; Rubin, Martin; Tenishev, Valeriy; Toth, Gabor; Tzou, Chia-Yu

2016-04-01

We have previously used results from the AMPS DSMC (Adaptive Mesh Particle Simulator Direct Simulation Monte Carlo) model to create an empirical model of the near comet coma (<400 km) of comet 67P for the pre-equinox orbit of comet 67P/Churyumov-Gerasimenko. In this work we extend the empirical model to the post-equinox, post-perihelion time period. In addition, we extend the coma model to significantly further from the comet (~100,000-1,000,000 km). The empirical model characterizes the neutral coma in a comet centered, sun fixed reference frame as a function of heliocentric distance, radial distance from the comet, local time and declination. Furthermore, we have generalized the model beyond application to 67P by replacing the heliocentric distance parameterizations and mapping them to production rates. Using this method, the model become significantly more general and can be applied to any comet. The model is a significant improvement over simpler empirical models, such as the Haser model. For 67P, the DSMC results are, of course, a more accurate representation of the coma at any given time, but the advantage of a mean state, empirical model is the ease and speed of use. One application of the empirical model is to de-trend the spacecraft motion from the ROSINA COPS and DFMS data (Rosetta Orbiter Spectrometer for Ion and Neutral Analysis, Comet Pressure Sensor, Double Focusing Mass Spectrometer). The ROSINA instrument measures the neutral coma density at a single point and the measured value is influenced by the location of the spacecraft relative to the comet and the comet-sun line. Using the empirical coma model we can correct for the position of the spacecraft and compute a total production rate based on the single point measurement. In this presentation we will present the coma production rate as a function of heliocentric distance both pre- and post-equinox and perihelion.

Unified gas-kinetic scheme with multigrid convergence for rarefied flow study

NASA Astrophysics Data System (ADS)

Zhu, Yajun; Zhong, Chengwen; Xu, Kun

2017-09-01

The unified gas kinetic scheme (UGKS) is based on direct modeling of gas dynamics on the mesh size and time step scales. With the modeling of particle transport and collision in a time-dependent flux function in a finite volume framework, the UGKS can connect the flow physics smoothly from the kinetic particle transport to the hydrodynamic wave propagation. In comparison with the direct simulation Monte Carlo (DSMC) method, the current equation-based UGKS can implement implicit techniques in the updates of macroscopic conservative variables and microscopic distribution functions. The implicit UGKS significantly increases the convergence speed for steady flow computations, especially in the highly rarefied and near continuum regimes. In order to further improve the computational efficiency, for the first time, a geometric multigrid technique is introduced into the implicit UGKS, where the prediction step for the equilibrium state and the evolution step for the distribution function are both treated with multigrid acceleration. More specifically, a full approximate nonlinear system is employed in the prediction step for fast evaluation of the equilibrium state, and a correction linear equation is solved in the evolution step for the update of the gas distribution function. As a result, convergent speed has been greatly improved in all flow regimes from rarefied to the continuum ones. The multigrid implicit UGKS (MIUGKS) is used in the non-equilibrium flow study, which includes microflow, such as lid-driven cavity flow and the flow passing through a finite-length flat plate, and high speed one, such as supersonic flow over a square cylinder. The MIUGKS shows 5-9 times efficiency increase over the previous implicit scheme. For the low speed microflow, the efficiency of MIUGKS is several orders of magnitude higher than the DSMC. Even for the hypersonic flow at Mach number 5 and Knudsen number 0.1, the MIUGKS is still more than 100 times faster than the DSMC method for obtaining a convergent steady state solution.

Experimental and Computational Studies of the Flow Over a Sting Mounted Planetary Probe Configuration

NASA Technical Reports Server (NTRS)

Holden, Michael S.; Harvey, John K.; Boyd, Iain D.; George, Jyothish; Horvath, Thomas J.

1997-01-01

This paper summarizes the results of a series of experimental studies in the LENS shock tunnel and computations with DSMC and Navier Stokes codes which have been made to examine the aerothermal and flowfield characteristics of the flow over a sting-supported planetary probe configuration in hypervelocity air and nitrogen flows. The experimental program was conducted in the LENS hypervelocity shock tunnel at total enthalpies of 5and 10 MJkg for a range of reservoir pressure conditions from 70 to 500 bars. Heat transfer and pressure measurements were made on the front and rear face of the probe and along the supporting sting. High-speed and single shot schlieren photography were also employed to examine the flow over the model and the time to establish the flow in the base recirculation region. Predictions of the flowfield characteristics and the distributions of heat transfer and pressure were made with DSMC codes for rarefied flow conditions and with the Navier-Stokes solvers for the higher pressure conditions where the flows were assumed to be laminar. Analysis of the time history records from the heat transfer and pressure instrumentation on the face of the probe and in the base region indicated that the base flow was fully established in under 4 milliseconds from flow initiation or between 35 and 50 flow lengths based on base height. The measurements made in three different tunnel entries with two models of identical geometries but with different instrumentation packages, one prepared by NASA Langley and the second prepared by CUBRC, demonstrated good agreement between heat transfer measurements made with two different types of thin film and coaxial gage instrumentation. The measurements of heat transfer and pressure to the front face of the probe were in good agreement with theoretical predictions from both the DSMC and Navier Stokes codes. For the measurements made in low density flows, computations with the DSMC code were found to compare well with the pressure and heat transfer measurements on the sting, although the computed heat transfer rates in the recirculation region did not exhibit the same characteristics as the measurements. For the 10MJkg and 500 bar reservoir match point condition, the measurements and heat transfer along the sting from the first group of studies were in agreement with the Navier Stokes solutions for laminar conditions. A similar set of measurements made in later tests where the model was moved to a slightly different position in the test section indicated that the boundary layer in the reattachment compression region was close to transition or transitional where small changes in the test environment can result in larger than laminar heating rates. The maximum heating coefficients on the sting observed in the present studies was a small fraction of similar measurements obtained at nominally the same conditions in the HEG shock tunnel, where it is possible for transition to occur in the base flow, and in the low enthalpy studies conducted in the NASA Langley high Reynolds number Mach 10 tunnel where the base flow was shown to be turbulent. While the hybrid Navier- StokedDMSC calculations by Gochberg et al. (Reference 1) suggested that employing the Navier- Stokes calculations for the entire flowfield could be seriously in error in the base region for the 10 MJkg, 500 bar test case, similar calculations performed by Cornell, presented here, do not.

Heat transfer in nonequilibrium boundary layer flow over a partly catalytic wall

NASA Astrophysics Data System (ADS)

Wang, Zhi-Hui

2016-11-01

Surface catalysis has a huge influence on the aeroheating performance of hypersonic vehicles. For the reentry flow problem of a traditional blunt vehicle, it is reasonable to assume a frozen boundary layer surrounding the vehicles' nose, and the catalytic heating can be decoupled with the heat conduction. However, when considering a hypersonic cruise vehicle flying in the medium-density near space, the boundary layer flow around its sharp leading-edge is likely to be nonequilibrium rather than frozen due to rarefied gas effects. As a result, there will be a competition between the heat conduction and the catalytic heating. In this paper, the theoretical modeling and the direct simulation Monte Carlo (DSMC) method are employed to study the corresponding rarefied nonequilibrium flow and heat transfer phenomena near the leading edge of the near space hypersonic vehicles. It is found that even under identical rarefication degree, the nonequilibrium degree of the flow and the corresponding heat transfer performance of the sharp leading edges could be different from that of the big blunt noses. A generalized model is preliminarily proposed to describe and to evaluate the competitive effects between the homogeneous recombination of atoms inside the nonequilibrium boundary layer and the heterogeneous recombination of atoms on the catalytic wall surface. The introduced nonequilibrium criterion and the analytical formula are validated and calibrated by the DSMC results, and the physical mechanism is discussed.

Development of a two-dimensional binning model for N{sub 2}–N relaxation in hypersonic shock conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Tong, E-mail: tongzhu2@illinois.edu; Levin, Deborah A., E-mail: deblevin@illinois.edu; Li, Zheng, E-mail: zul107@psu.edu

2016-08-14

A high fidelity internal energy relaxation model for N{sub 2}–N suitable for use in direct simulation Monte Carlo (DSMC) modeling of chemically reacting flows is proposed. A novel two-dimensional binning approach with variable bin energy resolutions in the rotational and vibrational modes is developed for treating the internal mode of N{sub 2}. Both bin-to-bin and state-specific relaxation cross sections are obtained using the molecular dynamics/quasi-classical trajectory (MD/QCT) method with two potential energy surfaces as well as the state-specific database of Jaffe et al. The MD/QCT simulations of inelastic energy exchange between N{sub 2} and N show that there is amore » strong forward-preferential scattering behavior at high collision velocities. The 99 bin model is used in homogeneous DSMC relaxation simulations and is found to be able to recover the state-specific master equation results of Panesi et al. when the Jaffe state-specific cross sections are used. Rotational relaxation energy profiles and relaxation times obtained using the ReaxFF and Jaffe potential energy surfaces (PESs) are in general agreement but there are larger differences between the vibrational relaxation times. These differences become smaller as the translational temperature increases because the difference in the PES energy barrier becomes less important.« less

A generalized form of the Bernoulli Trial collision scheme in DSMC: Derivation and evaluation

NASA Astrophysics Data System (ADS)

Roohi, Ehsan; Stefanov, Stefan; Shoja-Sani, Ahmad; Ejraei, Hossein

2018-02-01

The impetus of this research is to present a generalized Bernoulli Trial collision scheme in the context of the direct simulation Monte Carlo (DSMC) method. Previously, a subsequent of several collision schemes have been put forward, which were mathematically based on the Kac stochastic model. These include Bernoulli Trial (BT), Ballot Box (BB), Simplified Bernoulli Trial (SBT) and Intelligent Simplified Bernoulli Trial (ISBT) schemes. The number of considered pairs for a possible collision in the above-mentioned schemes varies between N (l) (N (l) - 1) / 2 in BT, 1 in BB, and (N (l) - 1) in SBT or ISBT, where N (l) is the instantaneous number of particles in the lth cell. Here, we derive a generalized form of the Bernoulli Trial collision scheme (GBT) where the number of selected pairs is any desired value smaller than (N (l) - 1), i.e., Nsel < (N (l) - 1), keeping the same the collision frequency and accuracy of the solution as the original SBT and BT models. We derive two distinct formulas for the GBT scheme, where both formula recover BB and SBT limits if Nsel is set as 1 and N (l) - 1, respectively, and provide accurate solutions for a wide set of test cases. The present generalization further improves the computational efficiency of the BT-based collision models compared to the standard no time counter (NTC) and nearest neighbor (NN) collision models.

Comparison study of exhaust plume impingement effects of small mono- and bipropellant thrusters using parallelized DSMC method

PubMed Central

2017-01-01

A space propulsion system is important for the normal mission operations of a spacecraft by adjusting its attitude and maneuver. Generally, a mono- and a bipropellant thruster have been mainly used for low thrust liquid rocket engines. But as the plume gas expelled from these small thrusters diffuses freely in a vacuum space along all directions, unwanted effects due to the plume collision onto the spacecraft surfaces can dramatically cause a deterioration of the function and performance of a spacecraft. Thus, aim of the present study is to investigate and compare the major differences of the plume gas impingement effects quantitatively between the small mono- and bipropellant thrusters using the computational fluid dynamics (CFD). For an efficiency of the numerical calculations, the whole calculation domain is divided into two different flow regimes depending on the flow characteristics, and then Navier-Stokes equations and parallelized Direct Simulation Monte Carlo (DSMC) method are adopted for each flow regime. From the present analysis, thermal and mass influences of the plume gas impingements on the spacecraft were analyzed for the mono- and the bipropellant thrusters. As a result, it is concluded that a careful understanding on the plume impingement effects depending on the chemical characteristics of different propellants are necessary for the efficient design of the spacecraft. PMID:28636625

Transient heat transfer in viscous rarefied gas between concentric cylinders. Effect of curvature

NASA Astrophysics Data System (ADS)

Gospodinov, P.; Roussinov, V.; Dankov, D.

2015-10-01

The thermoacoustic waves arising in cylindrical or planar Couette rarefied gas flow between rotating cylinders is studied in the cases of suddenly cylinder (active) wall velocity direction turn on. An unlimited increase in the radius of the inner cylinder flow can be interpreted as Couette flow between the two flat plates. Based on the developed in previous publications Navier-Stockes-Fourier (NSF) model and Direct Simulation Monte Carlo (DSMC) method and their numerical solutions, are considered transient processes in the gas phase. Macroscopic flow characteristics (velocity, density, temperature) are received. The cylindrical flow cases for fixed velocity and temperature of the both walls are considered. The curvature effects over the wave's distribution and attenuation are studied numerically.

Rarefaction effects on Galileo probe aerodynamics

NASA Technical Reports Server (NTRS)

Moss, James N.; LeBeau, Gerald J.; Blanchard, Robert C.; Price, Joseph M.

1996-01-01

Solutions of aerodynamic characteristics are presented for the Galileo Probe entering Jupiter's hydrogen-helium atmosphere at a nominal relative velocity of 47.4 km/s. Focus is on predicting the aerodynamic drag coefficient during the transitional flow regime using the direct simulation Monte Carlo (DSMC) method. Accuracy of the probe's drag coefficient directly impacts the inferred atmospheric properties that are being extracted from the deceleration measurements made by onboard accelerometers as part of the Atmospheric Structure Experiment. The range of rarefaction considered in the present study extends from the free molecular limit to continuum conditions. Comparisons made with previous calculations and experimental measurements show the present results for drag to merge well with Navier-Stokes and experimental results for the least rarefied conditions considered.

Multifluid MHD Simulations of the Plasma Environment of Comet Churyumov-Gerasimenko at Different Heliocentric Distances

NASA Astrophysics Data System (ADS)

Huang, Z.; Jia, X.; Rubin, M.; Fougere, N.; Gombosi, T. I.; Tenishev, V.; Combi, M. R.; Bieler, A. M.; Toth, G.; Hansen, K. C.; Shou, Y.

2014-12-01

We study the plasma environment of the comet Churyumov-Gerasimenko, which is the target of the Rosetta mission, by performing large scale numerical simulations. Our model is based on BATS-R-US within the Space Weather Modeling Framework that solves the governing multifluid MHD equations, which describe the behavior of the cometary heavy ions, the solar wind protons, and electrons. The model includes various mass loading processes, including ionization, charge exchange, dissociative ion-electron recombination, as well as collisional interactions between different fluids. The neutral background used in our MHD simulations is provided by a kinetic Direct Simulation Monte Carlo (DSMC) model. We will simulate how the cometary plasma environment changes at different heliocentric distances.

DSMC analysis of species separation in rarefied nozzle flows

NASA Technical Reports Server (NTRS)

Chung, Chan-Hong; De Witt, Kenneth J.; Jeng, Duen-Ren; Penko, Paul F.

1992-01-01

The direct-simulation Monte Carlo method has been used to investigate the behavior of a small amount of a harmful species in the plume and the backflow region of nuclear thermal propulsion rockets. Species separation due to pressure diffusion and nonequilibrium effects due to rapid expansion into a surrounding low-density environment are the most important factors in this type of flow. It is shown that a relatively large amount of the lighter species is scattered into the backflow region and the heavier species becomes negligible in this region due to the extreme separation between species. It is also shown that the type of molecular interaction between the species can have a substantial effect on separation of the species.

Multibillion-atom Molecular Dynamics Simulations of Plasticity, Spall, and Ejecta

NASA Astrophysics Data System (ADS)

Germann, Timothy C.

2007-06-01

Modern supercomputing platforms, such as the IBM BlueGene/L at Lawrence Livermore National Laboratory and the Roadrunner hybrid supercomputer being built at Los Alamos National Laboratory, are enabling large-scale classical molecular dynamics simulations of phenomena that were unthinkable just a few years ago. Using either the embedded atom method (EAM) description of simple (close-packed) metals, or modified EAM (MEAM) models of more complex solids and alloys with mixed covalent and metallic character, simulations containing billions to trillions of atoms are now practical, reaching volumes in excess of a cubic micron. In order to obtain any new physical insights, however, it is equally important that the analysis of such systems be tractable. This is in fact possible, in large part due to our highly efficient parallel visualization code, which enables the rendering of atomic spheres, Eulerian cells, and other geometric objects in a matter of minutes, even for tens of thousands of processors and billions of atoms. After briefly describing the BlueGene/L and Roadrunner architectures, and the code optimization strategies that were employed, results obtained thus far on BlueGene/L will be reviewed, including: (1) shock compression and release of a defective EAM Cu sample, illustrating the plastic deformation accompanying void collapse as well as the subsequent void growth and linkup upon release; (2) solid-solid martensitic phase transition in shock-compressed MEAM Ga; and (3) Rayleigh-Taylor fluid instability modeled using large-scale direct simulation Monte Carlo (DSMC) simulations. I will also describe our initial experiences utilizing Cell Broadband Engine processors (developed for the Sony PlayStation 3), and planned simulation studies of ejecta and spall failure in polycrystalline metals that will be carried out when the full Petaflop Opteron/Cell Roadrunner supercomputer is assembled in mid-2008.

Direct Simulation Monte Carlo Investigation of Noncontinuum Couette Flow

NASA Astrophysics Data System (ADS)

Torczynski, J. R.; Gallis, M. A.

2009-11-01

The Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics is used to study noncontinuum effects in Couette flow. The walls have equal temperatures and equal accommodation coefficients but unequal tangential velocities. Simulations are performed for near-free-molecular to near-continuum gas pressures with accommodation coefficients of 0.25, 0.5, and 1. Ten gases are examined: argon, helium, nitrogen, sea-level air, and six Inverse-Power-Law (IPL) gases with viscosity temperature exponents of 0.5, 0.6, 0.7, 0.8, 0.9, and 1.0, as represented by the Variable Soft Sphere (VSS) interaction. In all cases, the wall shear stress is proportional to the slip velocity. The momentum transfer coefficient relating these two quantities can be accurately correlated in terms of the Knudsen number based on the wall separation. The two dimensionless parameters in the correlation are similar for all gases examined. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

DSMC simulations of the Shuttle Plume Impingement Flight EXperiment(SPIFEX)

NASA Technical Reports Server (NTRS)

Stewart, Benedicte; Lumpkin, Forrest

2017-01-01

During orbital maneuvers and proximity operations, a spacecraft fires its thrusters inducing plume impingement loads, heating and contamination to itself and to any other nearby spacecraft. These thruster firings are generally modeled using a combination of Computational Fluid Dynamics (CFD) and DSMC simulations. The Shuttle Plume Impingement Flight EXperiment(SPIFEX) produced data that can be compared to a high fidelity simulation. Due to the size of the Shuttle thrusters this problem was too resource intensive to be solved with DSMC when the experiment flew in 1994.

Monte Carlo Modeling of the Initial Radiation Emitted by a Nuclear Device in the National Capital Region

DTIC Science & Technology

2013-07-01

also simulated in the models. Data was derived from calculations using the three-dimensional Monte Carlo radiation transport code MCNP (Monte Carlo N...32  B.  MCNP PHYSICS OPTIONS ......................................................................................... 33  C.  HAZUS...input deck’) for the MCNP , Monte Carlo N-Particle, radiation transport code. MCNP is a general-purpose code designed to simulate neutron, photon

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-04-01

The flow over a 2D leading-edge flat plate is studied at Mach number Ma =(Uinf / \\setmn √{kBTinf / m}) in the range

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2016-11-01

The flow over a 2D leading-edge flat plate is studied at Mach number Ma = (Uinf /√{kBTinf / m }) in the range

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-01-01

The flow over a 2D leading-edge flat plate is studied at Mach number Ma = (Uinf /√{kBTinf / m }) in the range

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev

2016-10-01

The flow over a 2D leading-edge flat plate is studied at Mach number Ma = (Uinf / {kBTinf /m}) in the range

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

The flow over a 2D leading-edge flat plate is studied at Mach number Ma = (Uinf / ∖ sqrt{kBTinf / m})in the range

Coma dust scattering concepts applied to the Rosetta mission

NASA Astrophysics Data System (ADS)

Fink, Uwe; Rinaldi, Giovanna

2015-09-01

This paper describes basic concepts, as well as providing a framework, for the interpretation of the light scattered by the dust in a cometary coma as observed by instruments on a spacecraft such as Rosetta. It is shown that the expected optical depths are small enough that single scattering can be applied. Each of the quantities that contribute to the scattered intensity is discussed in detail. Using optical constants of the likely coma dust constituents, olivine, pyroxene and carbon, the scattering properties of the dust are calculated. For the resulting observable scattering intensities several particle size distributions are considered, a simple power law, power laws with a small particle cut off and a log-normal distributions with various parameters. Within the context of a simple outflow model, the standard definition of Afρ for a circular observing aperture is expanded to an equivalent Afρ for an annulus and specific line-of-sight observation. The resulting equivalence between the observed intensity and Afρ is used to predict observable intensities for 67P/Churyumov-Gerasimenko at the spacecraft encounter near 3.3 AU and near perihelion at 1.3 AU. This is done by normalizing particle production rates of various size distributions to agree with observed ground based Afρ values. Various geometries for the column densities in a cometary coma are considered. The calculations for a simple outflow model are compared with more elaborate Direct Simulation Monte Carlo Calculation (DSMC) models to define the limits of applicability of the simpler analytical approach. Thus our analytical approach can be applied to the majority of the Rosetta coma observations, particularly beyond several nuclear radii where the dust is no longer in a collisional environment, without recourse to computer intensive DSMC calculations for specific cases. In addition to a spherically symmetric 1-dimensional approach we investigate column densities for the 2-dimensional DSMC model on the day and night side of the comet. Our calculations are also applied to estimates of the dust particle densities and flux which are useful for the in-situ experiments on Rosetta.

An empirical model of H2O, CO2 and CO coma distributions and production rates for comet 67P/Churyumov-Gerasimenko based on ROSINA/DFMS measurements and AMPS-DSMC simulations

NASA Astrophysics Data System (ADS)

Hansen, Kenneth C.; Altwegg, Kathrin; Bieler, Andre; Berthelier, Jean-Jacques; Calmonte, Ursina; Combi, Michael R.; De Keyser, Johan; Fiethe, Björn; Fougere, Nicolas; Fuselier, Stephen; Gombosi, T. I.; Hässig, Myrtha; Huang, Zhenguang; Le Roy, Léna; Rubin, Martin; Tenishev, Valeriy; Toth, Gabor; Tzou, Chia-Yu; ROSINA Team

2016-10-01

We have previously used results from the AMPS DSMC (Adaptive Mesh Particle Simulator Direct Simulation Monte Carlo) model to create an empirical model of the near comet water (H2O) coma of comet 67P/Churyumov-Gerasimenko. In this work we create additional empirical models for the coma distributions of CO2 and CO. The AMPS simulations are based on ROSINA DFMS (Rosetta Orbiter Spectrometer for Ion and Neutral Analysis, Double Focusing Mass Spectrometer) data taken over the entire timespan of the Rosetta mission. The empirical model is created using AMPS DSMC results which are extracted from simulations at a range of radial distances, rotation phases and heliocentric distances. The simulation results are then averaged over a comet rotation and fitted to an empirical model distribution. Model coefficients are then fitted to piecewise-linear functions of heliocentric distance. The final product is an empirical model of the coma distribution which is a function of heliocentric distance, radial distance, and sun-fixed longitude and latitude angles. The model clearly mimics the behavior of water shifting production from North to South across the inbound equinox while the CO2 production is always in the South.The empirical model can be used to de-trend the spacecraft motion from the ROSINA COPS and DFMS data. The ROSINA instrument measures the neutral coma density at a single point and the measured value is influenced by the location of the spacecraft relative to the comet and the comet-sun line. Using the empirical coma model we can correct for the position of the spacecraft and compute a total production rate based on single point measurements. In this presentation we will present the coma production rates as a function of heliocentric distance for the entire Rosetta mission.This work was supported by contracts JPL#1266313 and JPL#1266314 from the US Rosetta Project and NASA grant NNX14AG84G from the Planetary Atmospheres Program.

New chemical-DSMC method in numerical simulation of axisymmetric rarefied reactive flow

NASA Astrophysics Data System (ADS)

Zakeri, Ramin; Kamali Moghadam, Ramin; Mani, Mahmoud

2017-04-01

The modified quantum kinetic (MQK) chemical reaction model introduced by Zakeri et al. is developed for applicable cases in axisymmetric reactive rarefied gas flows using the direct simulation Monte Carlo (DSMC) method. Although, the MQK chemical model uses some modifications in the quantum kinetic (QK) method, it also employs the general soft sphere collision model and Stockmayer potential function to properly select the collision pairs in the DSMC algorithm and capture both the attraction and repulsion intermolecular forces in rarefied gas flows. For assessment of the presented model in the simulation of more complex and applicable reacting flows, first, the air dissociation is studied in a single cell for equilibrium and non-equilibrium conditions. The MQK results agree well with the analytical and experimental data and they accurately predict the characteristics of the rarefied flowfield with chemical reaction. To investigate accuracy of the MQK chemical model in the simulation of the axisymmetric flow, air dissociation is also assessed in an axial hypersonic flow around two geometries, the sphere as a benchmark case and the blunt body (STS-2) as an applicable test case. The computed results including the transient, rotational and vibrational temperatures, species concentration in the stagnation line, and also the heat flux and pressure coefficient on the surface are compared with those of the other chemical methods like the QK and total collision energy (TCE) models and available analytical and experimental data. Generally, the MQK chemical model properly simulates the chemical reactions and predicts flowfield characteristics more accurate rather than the typical QK model. Although in some cases, results of the MQK approaches match with those of the TCE method, the main point is that the MQK does not need any experimental data or unrealistic assumption of specular boundary condition as used in the TCE method. Another advantage of the MQK model is the significant reduction of computational cost rather than the QK chemical model to reach the same accuracy because of applying more proper collision model and consequently, decrease of the particles collision number.

A hybrid method with deviational particles for spatial inhomogeneous plasma

NASA Astrophysics Data System (ADS)

Yan, Bokai

2016-03-01

In this work we propose a Hybrid method with Deviational Particles (HDP) for a plasma modeled by the inhomogeneous Vlasov-Poisson-Landau system. We split the distribution into a Maxwellian part evolved by a grid based fluid solver and a deviation part simulated by numerical particles. These particles, named deviational particles, could be both positive and negative. We combine the Monte Carlo method proposed in [31], a Particle in Cell method and a Macro-Micro decomposition method [3] to design an efficient hybrid method. Furthermore, coarse particles are employed to accelerate the simulation. A particle resampling technique on both deviational particles and coarse particles is also investigated and improved. This method is applicable in all regimes and significantly more efficient compared to a PIC-DSMC method near the fluid regime.

Rarefaction Effects in Hypersonic Aerodynamics

NASA Astrophysics Data System (ADS)

Riabov, Vladimir V.

2011-05-01

The Direct Simulation Monte-Carlo (DSMC) technique is used for numerical analysis of rarefied-gas hypersonic flows near a blunt plate, wedge, two side-by-side plates, disk, torus, and rotating cylinder. The role of various similarity parameters (Knudsen and Mach numbers, geometrical and temperature factors, specific heat ratios, and others) in aerodynamics of the probes is studied. Important kinetic effects that are specific for the transition flow regime have been found: non-monotonic lift and drag of plates, strong repulsive force between side-by-side plates and cylinders, dependence of drag on torus radii ratio, and the reverse Magnus effect on the lift of a rotating cylinder. The numerical results are in a good agreement with experimental data, which were obtained in a vacuum chamber at low and moderate Knudsen numbers from 0.01 to 10.

Numerical Simulation of Rarefied Plume Flow Exhausting from a Small Nozzle

NASA Astrophysics Data System (ADS)

Hyakutake, Toru; Yamamoto, Kyoji

2003-05-01

This paper describes the numerical studies of a rarefied plume flow expanding through a nozzle into a vacuum, especially focusing on investigating the nozzle performance, the angular distributions of molecular flux in the nozzle plume and the influence of the backflow contamination for the variation of nozzle geometries and gas/surface interaction models. The direct simulation Monte Carlo (DSMC) method is employed for determining inside the nozzle and in the nozzle plume. The simulation results indicate that the half-angle of the diverging section in the highest thrust coefficient is 25° - 30° and this value varies with the expansion ratio of the nozzle. The descent of the half-angle brings about the increase of the molecules that are scattered in the backflow region.

Comparison of space radiation calculations for deterministic and Monte Carlo transport codes

NASA Astrophysics Data System (ADS)

Lin, Zi-Wei; Adams, James; Barghouty, Abdulnasser; Randeniya, Sharmalee; Tripathi, Ram; Watts, John; Yepes, Pablo

For space radiation protection of astronauts or electronic equipments, it is necessary to develop and use accurate radiation transport codes. Radiation transport codes include deterministic codes, such as HZETRN from NASA and UPROP from the Naval Research Laboratory, and Monte Carlo codes such as FLUKA, the Geant4 toolkit and HETC-HEDS. The deterministic codes and Monte Carlo codes complement each other in that deterministic codes are very fast while Monte Carlo codes are more elaborate. Therefore it is important to investigate how well the results of deterministic codes compare with those of Monte Carlo transport codes and where they differ. In this study we evaluate these different codes in their space radiation applications by comparing their output results in the same given space radiation environments, shielding geometry and material. Typical space radiation environments such as the 1977 solar minimum galactic cosmic ray environment are used as the well-defined input, and simple geometries made of aluminum, water and/or polyethylene are used to represent the shielding material. We then compare various outputs of these codes, such as the dose-depth curves and the flux spectra of different fragments and other secondary particles. These comparisons enable us to learn more about the main differences between these space radiation transport codes. At the same time, they help us to learn the qualitative and quantitative features that these transport codes have in common.

Verification and Validation of Monte Carlo n-Particle Code 6 (MCNP6) with Neutron Protection Factor Measurements of an Iron Box

DTIC Science & Technology

2014-03-27

VERIFICATION AND VALIDATION OF MONTE CARLO N- PARTICLE CODE 6 (MCNP6) WITH NEUTRON PROTECTION FACTOR... PARTICLE CODE 6 (MCNP6) WITH NEUTRON PROTECTION FACTOR MEASUREMENTS OF AN IRON BOX THESIS Presented to the Faculty Department of Engineering...STATEMENT A. APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED iv AFIT-ENP-14-M-05 VERIFICATION AND VALIDATION OF MONTE CARLO N- PARTICLE CODE 6

Aero-thermo-dynamic analysis of the Spaceliner-7.1 vehicle in high altitude flight

NASA Astrophysics Data System (ADS)

Zuppardi, Gennaro; Morsa, Luigi; Sippel, Martin; Schwanekamp, Tobias

2014-12-01

SpaceLiner, designed by DLR, is a visionary, extremely fast passenger transportation concept. It consists of two stages: a winged booster, a vehicle. After separation of the two stages, the booster makes a controlled re-entry and returns to the launch site. According to the current project, version 7-1 of SpaceLiner (SpaceLiner-7.1), the vehicle should be brought at an altitude of 75 km and then released, undertaking the descent path. In the perspective that the vehicle of SpaceLiner-7.1 could be brought to altitudes higher than 75 km, e.g. 100 km or above and also for a speculative purpose, in this paper the aerodynamic parameters of the SpaceLiner-7.1 vehicle are calculated in the whole transition regime, from continuum low density to free molecular flows. Computer simulations have been carried out by three codes: two DSMC codes, DS3V in the altitude interval 100-250 km for the evaluation of the global aerodynamic coefficients and DS2V at the altitude of 60 km for the evaluation of the heat flux and pressure distributions along the vehicle nose, and the DLR HOTSOSE code for the evaluation of the global aerodynamic coefficients in continuum, hypersonic flow at the altitude of 44.6 km. The effectiveness of the flaps with deflection angle of -35 deg. was evaluated in the above mentioned altitude interval. The vehicle showed longitudinal stability in the whole altitude interval even with no flap. The global bridging formulae verified to be proper for the evaluation of the aerodynamic coefficients in the altitude interval 80-100 km where the computations cannot be fulfilled either by CFD, because of the failure of the classical equations computing the transport coefficients, or by DSMC because of the requirement of very high computer resources both in terms of the core storage (a high number of simulated molecules is needed) and to the very long processing time.

Full 3D visualization tool-kit for Monte Carlo and deterministic transport codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frambati, S.; Frignani, M.

2012-07-01

We propose a package of tools capable of translating the geometric inputs and outputs of many Monte Carlo and deterministic radiation transport codes into open source file formats. These tools are aimed at bridging the gap between trusted, widely-used radiation analysis codes and very powerful, more recent and commonly used visualization software, thus supporting the design process and helping with shielding optimization. Three main lines of development were followed: mesh-based analysis of Monte Carlo codes, mesh-based analysis of deterministic codes and Monte Carlo surface meshing. The developed kit is considered a powerful and cost-effective tool in the computer-aided design formore » radiation transport code users of the nuclear world, and in particular in the fields of core design and radiation analysis. (authors)« less

Analysis of high-speed rotating flow inside gas centrifuge casing

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-10-01

The generalized analytical model for the radial boundary layer inside the gas centrifuge casing in which the inner cylinder is rotating at a constant angular velocity Ω_i while the outer one is stationary, is formulated for studying the secondary gas flow field due to wall thermal forcing, inflow/outflow of light gas along the boundaries, as well as due to the combination of the above two external forcing. The analytical model includes the sixth order differential equation for the radial boundary layer at the cylindrical curved surface in terms of master potential (χ) , which is derived from the equations of motion in an axisymmetric (r - z) plane. The linearization approximation is used, where the equations of motion are truncated at linear order in the velocity and pressure disturbances to the base flow, which is a solid-body rotation. Additional approximations in the analytical model include constant temperature in the base state (isothermal compressible Couette flow), high aspect ratio (length is large compared to the annular gap), high Reynolds number, but there is no limitation on the Mach number. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order in the radial direction for the generalized analytical equation) are obtained. The solutions for the secondary flow is determined in terms of these eigenvalues and eigenfunctions. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations and found excellent agreement (with a difference of less than 15%) between the predictions of the analytical model and the DSMC simulations, provided the boundary conditions in the analytical model are accurately specified.

Analysis of high-speed rotating flow inside gas centrifuge casing

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-09-01

The generalized analytical model for the radial boundary layer inside the gas centrifuge casing in which the inner cylinder is rotating at a constant angular velocity Ωi while the outer one is stationary, is formulated for studying the secondary gas flow field due to wall thermal forcing, inflow/outflow of light gas along the boundaries, as well as due to the combination of the above two external forcing. The analytical model includes the sixth order differential equation for the radial boundary layer at the cylindrical curved surface in terms of master potential (χ) , which is derived from the equations of motion in an axisymmetric (r - z) plane. The linearization approximation is used, where the equations of motion are truncated at linear order in the velocity and pressure disturbances to the base flow, which is a solid-body rotation. Additional approximations in the analytical model include constant temperature in the base state (isothermal compressible Couette flow), high aspect ratio (length is large compared to the annular gap), high Reynolds number, but there is no limitation on the Mach number. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order in the radial direction for the generalized analytical equation) are obtained. The solutions for the secondary flow is determined in terms of these eigenvalues and eigenfunctions. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations and found excellent agreement (with a difference of less than 15%) between the predictions of the analytical model and the DSMC simulations, provided the boundary conditions in the analytical model are accurately specified.

Analysis of high-speed rotating flow inside gas centrifuge casing

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev

2017-11-01

The generalized analytical model for the radial boundary layer inside the gas centrifuge casing in which the inner cylinder is rotating at a constant angular velocity Ωi while the outer one is stationary, is formulated for studying the secondary gas flow field due to wall thermal forcing, inflow/outflow of light gas along the boundaries, as well as due to the combination of the above two external forcing. The analytical model includes the sixth order differential equation for the radial boundary layer at the cylindrical curved surface in terms of master potential (χ) , which is derived from the equations of motion in an axisymmetric (r - z) plane. The linearization approximation is used, where the equations of motion are truncated at linear order in the velocity and pressure disturbances to the base flow, which is a solid-body rotation. Additional approximations in the analytical model include constant temperature in the base state (isothermal compressible Couette flow), high aspect ratio (length is large compared to the annular gap), high Reynolds number, but there is no limitation on the Mach number. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order in the radial direction for the generalized analytical equation) are obtained. The solutions for the secondary flow is determined in terms of these eigenvalues and eigenfunctions. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations and found excellent agreement (with a difference of less than 15%) between the predictions of the analytical model and the DSMC simulations, provided the boundary conditions in the analytical model are accurately specified.

Thin film deposition using rarefied gas jet

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-01-01

The rarefied gas jet of aluminium is studied at Mach number Ma =(U_j /√{ kbTj / m }) in the range .01

DSMC simulations of leading edge flat-plate boundary layer flows at high Mach number

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev

2016-09-01

The flow over a 2D leading-edge flat plate is studied at Mach number Ma = (Uinf /√{kBTinf / m }) in the range

Considerations of MCNP Monte Carlo code to be used as a radiotherapy treatment planning tool.

PubMed

Juste, B; Miro, R; Gallardo, S; Verdu, G; Santos, A

2005-01-01

The present work has simulated the photon and electron transport in a Theratron 780® (MDS Nordion)⁶⁰Co radiotherapy unit, using the Monte Carlo transport code, MCNP (Monte Carlo N-Particle). This project explains mainly the different methodologies carried out to speedup calculations in order to apply this code efficiently in radiotherapy treatment planning.

Development of Numerical Extended Hydrodynamics for Transition-Regime Non-Equilibrium Flows Encountered in Semiconductor Manufacturing Processes

NASA Technical Reports Server (NTRS)

Groth, Clinton P. T.; Roe, Philip L.

1998-01-01

Six months of funding was received for the proposed three year research program (funding for the period from March 1, 1997 to August 31, 1997). Although the official starting date for the project was March 1, 1997, no funding for the project was received until July 1997. In the funded research period, considerable progress was made on Phase I of the proposed research program. The initial research efforts concentrated on applying the 10-, 20-, and 35-moment Gaussian-based closures to a series of standard two-dimensional non-reacting single species test flow problems, such as the flat plate, couette, channel, and rearward facing step flows, and to some other two-dimensional flows having geometries similar to those encountered in chemical-vapor deposition (CVD) reactors. Eigensystem analyses for these systems for the case of two spatial dimensions was carried out and efficient formulations of approximate Riemann solvers have been formulated using these eigenstructures. Formulations to include rotational non-equilibrium effects into the moment closure models for the treatment of polyatomic gases were explored, as the original formulations of the closure models were developed strictly for gases composed of monatomic molecules. The development of a software library and computer code for solving relaxing hyperbolic systems in two spatial dimensions of the type arising from the closure models was also initiated. The software makes use of high-resolution upwind finite-volumes schemes, multi-stage point implicit time stepping, and automatic adaptive mesh refinement (AMR) to solve the governing conservation equations for the moment closures. The initial phase of the code development was completed and a numerical investigation of the solutions of the 10-moment closure model for the simple two-dimensional test cases mentioned above was initiated. Predictions of the 10-moment model were compared to available theoretical solutions and the results of direct-simulation Monte Carlo (DSMC) calculations. The first results of this study were presented at a meeting last year.

Nuclide Depletion Capabilities in the Shift Monte Carlo Code

DOE PAGES

Davidson, Gregory G.; Pandya, Tara M.; Johnson, Seth R.; ...

2017-12-21

A new depletion capability has been developed in the Exnihilo radiation transport code suite. This capability enables massively parallel domain-decomposed coupling between the Shift continuous-energy Monte Carlo solver and the nuclide depletion solvers in ORIGEN to perform high-performance Monte Carlo depletion calculations. This paper describes this new depletion capability and discusses its various features, including a multi-level parallel decomposition, high-order transport-depletion coupling, and energy-integrated power renormalization. Several test problems are presented to validate the new capability against other Monte Carlo depletion codes, and the parallel performance of the new capability is analyzed.

Modeling of the Inner Coma of Comet 67P/Churyumov-Gerasimenko Constrained by VIRTIS and ROSINA Observations

NASA Astrophysics Data System (ADS)

Fougere, N.; Combi, M. R.; Tenishev, V.; Bieler, A. M.; Migliorini, A.; Bockelée-Morvan, D.; Toth, G.; Huang, Z.; Gombosi, T. I.; Hansen, K. C.; Capaccioni, F.; Filacchione, G.; Piccioni, G.; Debout, V.; Erard, S.; Leyrat, C.; Fink, U.; Rubin, M.; Altwegg, K.; Tzou, C. Y.; Le Roy, L.; Calmonte, U.; Berthelier, J. J.; Rème, H.; Hässig, M.; Fuselier, S. A.; Fiethe, B.; De Keyser, J.

2015-12-01

As it orbits around comet 67P/Churyumov-Gerasimenko (CG), the Rosetta spacecraft acquires more information about its main target. The numerous observations made at various geometries and at different times enable a good spatial and temporal coverage of the evolution of CG's cometary coma. However, the question regarding the link between the coma measurements and the nucleus activity remains relatively open notably due to gas expansion and strong kinetic effects in the comet's rarefied atmosphere. In this work, we use coma observations made by the ROSINA-DFMS instrument to constrain the activity at the surface of the nucleus. The distribution of the H2O and CO2 outgassing is described with the use of spherical harmonics. The coordinates in the orthogonal system represented by the spherical harmonics are computed using a least squared method, minimizing the sum of the square residuals between an analytical coma model and the DFMS data. Then, the previously deduced activity distributions are used in a Direct Simulation Monte Carlo (DSMC) model to compute a full description of the H2O and CO2 coma of comet CG from the nucleus' surface up to several hundreds of kilometers. The DSMC outputs are used to create synthetic images, which can be directly compared with VIRTIS measurements. The good agreement between the VIRTIS observations and the DSMC model, itself constrained with ROSINA data, provides a compelling juxtaposition of the measurements from these two instruments. Acknowledgements Work at UofM was supported by contracts JPL#1266313, JPL#1266314 and NASA grant NNX09AB59G. Work at UoB was funded by the State of Bern, the Swiss National Science Foundation and by the ESA PRODEX Program. Work at Southwest Research institute was supported by subcontract #1496541 from the JPL. Work at BIRA-IASB was supported by the Belgian Science Policy Office via PRODEX/ROSINA PEA 90020. The authors would like to thank ASI, CNES, DLR, NASA for supporting this research. VIRTIS was built by a consortium formed by Italy, France and Germany, under the scientific responsibility of the IAPS of INAF, which guides also the scientific operations. The consortium includes also the LESIA of the Observatoire de Paris, and the Institut für Planetenforschung of DLR. The authors wish to thank the RSGS and the RMOC for their continuous support.

Subsurface Gas Flow and Ice Grain Acceleration within Enceladus and Europa Fissures: 2D DSMC Models

NASA Astrophysics Data System (ADS)

Tucker, O. J.; Combi, M. R.; Tenishev, V.

2014-12-01

The ejection of material from geysers is a ubiquitous occurrence on outer solar system bodies. Water vapor plumes have been observed emanating from the southern hemispheres of Enceladus and Europa (Hansen et al. 2011, Roth et al. 2014), and N2plumes carrying ice and ark particles on Triton (Soderblom et al. 2009). The gas and ice grain distributions in the Enceladus plume depend on the subsurface gas properties and the geometry of the fissures e.g., (Schmidt et al. 2008, Ingersoll et al. 2010). Of course the fissures can have complex geometries due to tidal stresses, melting, freezing etc., but directly sampled and inferred gas and grain properties for the plume (source rate, bulk velocity, terminal grain velocity) can be used to provide a basis to constrain characteristic dimensions of vent width and depth. We used a 2-dimensional Direct Simulation Monte Carlo (DSMC) technique to model venting from both axi-symmetric canyons with widths ~2 km and narrow jets with widths ~15-40 m. For all of our vent geometries, considered the water vapor source rates (1027­ - 1028 s-1) and bulk gas velocities (~330 - 670 m/s) obtained at the surface were consistent with inferred values obtained by fits of the data for the plume densities (1026 - 1028 s-1, 250 - 1000 m/s) respectively. However, when using the resulting DSMC gas distribution for the canyon geometries to integrate the trajectories of ice grains we found it insufficient to accelerate submicron ice grains to Enceladus' escape speed. On the other hand, the gas distributions in the jet like vents accelerated grains > 10 μm significantly above Enceladus' escape speed. It has been suggested that micron-sized grains are ejected from the vents with speeds comparable to the Enceladus escape speed. Here we report on these results including comparisons to results obtained from 1D models as well as discuss the implications of our plume model results. We also show preliminary results for similar considerations applied to Europa. References: Hansen, 2011. Geophys. Res. Lett. 38, L11202; Ingersoll, 2010. Icarus 206, 594 - 607; Schmidt, 2008. Nature 451, 685 - 688; Soderblom, 2009. Science 250, 412 - 415; Roth, 2013l. Science http://dx.doi.org/10.1126/science.1247051 2013

Microscale Modeling of Porous Thermal Protection System Materials

NASA Astrophysics Data System (ADS)

Stern, Eric C.

Ablative thermal protection system (TPS) materials play a vital role in the design of entry vehicles. Most simulation tools for ablative TPS in use today take a macroscopic approach to modeling, which involves heavy empiricism. Recent work has suggested improving the fidelity of the simulations by taking a multi-scale approach to the physics of ablation. In this work, a new approach for modeling ablative TPS at the microscale is proposed, and its feasibility and utility is assessed. This approach uses the Direct Simulation Monte Carlo (DSMC) method to simulate the gas flow through the microstructure, as well as the gas-surface interaction. Application of the DSMC method to this problem allows the gas phase dynamics---which are often rarefied---to be modeled to a high degree of fidelity. Furthermore this method allows for sophisticated gas-surface interaction models to be implemented. In order to test this approach for realistic materials, a method for generating artificial microstructures which emulate those found in spacecraft TPS is developed. Additionally, a novel approach for allowing the surface to move under the influence of chemical reactions at the surface is developed. This approach is shown to be efficient and robust for performing coupled simulation of the oxidation of carbon fibers. The microscale modeling approach is first applied to simulating the steady flow of gas through the porous medium. Predictions of Darcy permeability for an idealized microstructure agree with empirical correlations from the literature, as well as with predictions from computational fluid dynamics (CFD) when the continuum assumption is valid. Expected departures are observed for conditions at which the continuum assumption no longer holds. Comparisons of simulations using a fabricated microstructure to experimental data for a real spacecraft TPS material show good agreement when similar microstructural parameters are used to build the geometry. The approach is then applied to investigating the ablation of porous materials through oxidation. A simple gas surface interaction model is described, and an approach for coupling the surface reconstruction algorithm to the DSMC method is outlined. Simulations of single carbon fibers at representative conditions suggest this approach to be feasible for simulating the ablation of porous TPS materials at scale. Additionally, the effect of various simulation parameters on in-depth morphology is investigated for random fibrous microstructures.

Program Manager: Journal of the Defense Systems Management College, Volume 23, Number 3, DSMC 120, May-June 1994

DTIC Science & Technology

1994-06-01

Defense Systems Management requirements for program executive College (DSMC). However. the sec- officers ( PEas ), program managers ond and third sets have...and presenting in- predictable outcomes in terms of cul- formation would change the entire tural change. t4 of culture. Once, carrier pigeons took days

Vectorized Monte Carlo methods for reactor lattice analysis

NASA Technical Reports Server (NTRS)

Brown, F. B.

1984-01-01

Some of the new computational methods and equivalent mathematical representations of physics models used in the MCV code, a vectorized continuous-enery Monte Carlo code for use on the CYBER-205 computer are discussed. While the principal application of MCV is the neutronics analysis of repeating reactor lattices, the new methods used in MCV should be generally useful for vectorizing Monte Carlo for other applications. For background, a brief overview of the vector processing features of the CYBER-205 is included, followed by a discussion of the fundamentals of Monte Carlo vectorization. The physics models used in the MCV vectorized Monte Carlo code are then summarized. The new methods used in scattering analysis are presented along with details of several key, highly specialized computational routines. Finally, speedups relative to CDC-7600 scalar Monte Carlo are discussed.

Prompt Radiation Protection Factors

DTIC Science & Technology

2018-02-01

dimensional Monte-Carlo radiation transport code MCNP (Monte Carlo N-Particle) and the evaluation of the protection factors (ratio of dose in the open to...radiation was performed using the three dimensional Monte- Carlo radiation transport code MCNP (Monte Carlo N-Particle) and the evaluation of the protection...by detonation of a nuclear device have placed renewed emphasis on evaluation of the consequences in case of such an event. The Defense Threat

Monte Carlo calculation of dose rate conversion factors for external exposure to photon emitters in soil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clovas, A.; Zanthos, S.; Antonopoulos-Domis, M.

2000-03-01

The dose rate conversion factors {dot D}{sub CF} (absorbed dose rate in air per unit activity per unit of soil mass, nGy h{sup {minus}1} per Bq kg{sup {minus}1}) are calculated 1 m above ground for photon emitters of natural radionuclides uniformly distributed in the soil. Three Monte Carlo codes are used: (1) The MCNP code of Los Alamos; (2) The GEANT code of CERN; and (3) a Monte Carlo code developed in the Nuclear Technology Laboratory of the Aristotle University of Thessaloniki. The accuracy of the Monte Carlo results is tested by the comparison of the unscattered flux obtained bymore » the three Monte Carlo codes with an independent straightforward calculation. All codes and particularly the MCNP calculate accurately the absorbed dose rate in air due to the unscattered radiation. For the total radiation (unscattered plus scattered) the {dot D}{sub CF} values calculated from the three codes are in very good agreement between them. The comparison between these results and the results deduced previously by other authors indicates a good agreement (less than 15% of difference) for photon energies above 1,500 keV. Antithetically, the agreement is not as good (difference of 20--30%) for the low energy photons.« less

Studies on Beam Formation in an Atomic Beam Source

NASA Astrophysics Data System (ADS)

Nass, A.; Stancari, M.; Steffens, E.

2009-08-01

Atomic beam sources (ABS) are widely used workhorses producing polarized atomic beams for polarized gas targets and polarized ion sources. Although they have been used for decades the understanding of the beam formation processes is crude. Models were used more or less successfully to describe the measured intensity and beam parameters. ABS's are also foreseen for future experiments, such as PAX [1]. An increase of intensity at a high polarization would be beneficial. A direct simulation Monte-Carlo method (DSMC) [2] was used to describe the beam formation of a hydrogen or deuterium beam in an ABS. For the first time a simulation of a supersonic gas expansion on a molecular level for this application was performed. Beam profile and Time-of-Flight measurements confirmed the simulation results. Furthermore a new method of beam formation was tested, the Carrier Jet method [3], based on an expanded beam surrounded by an over-expanded carrier jet.

Two-stage crossed beam cooling with ⁶Li and ¹³³Cs atoms in microgravity.

PubMed

Luan, Tian; Yao, Hepeng; Wang, Lu; Li, Chen; Yang, Shifeng; Chen, Xuzong; Ma, Zhaoyuan

2015-05-04

Applying the direct simulation Monte Carlo (DSMC) method developed for ultracold Bose-Fermi mixture gases research, we study the sympathetic cooling process of 6Li and 133Cs atoms in a crossed optical dipole trap. The obstacles to producing 6Li Fermi degenerate gas via direct sympathetic cooling with 133Cs are also analyzed, by which we find that the side-effect of the gravity is one of the main obstacles. Based on the dynamic nature of 6Li and 133Cs atoms, we suggest a two-stage cooling process with two pairs of crossed beams in microgravity environment. According to our simulations, the temperature of 6Li atoms can be cooled to T = 29.5 pK and T/TF = 0.59 with several thousand atoms, which propose a novel way to get ultracold fermion atoms with quantum degeneracy near pico-Kelvin.

HCN production from impact ejecta on the early Earth

NASA Astrophysics Data System (ADS)

Parkos, Devon; Pikus, Aaron; Alexeenko, Alina; Melosh, H. J.

2016-11-01

Major impact events have drastically altered the evolution of life on Earth. The reentry of ejecta formed from these events can trigger widespread chemical changes to the atmosphere on a global scale. This mechanism was proposed as a source of HCN during the Late Heavy Bombardment (LHB), 4.1 to 3.8 billion years ago. Significant concentrations of HCN in surface water could directly lead to adenine formation, a precursor for RNA. This work uses the Direct Simulation Monte Carlo (DSMC) method to examine the production of CN and HCN due to the reentry of impact ejecta. We use the Statistical Modeling in Low-Density Environment (SMILE) code, which utilizes the Total Collisional Energy (TCE) model for reactions. The collisions are described by the Variable Soft Sphere (VSS) and Larsen-Borgnakke (LB) models. We compare this nonequilibrium production to equilibrium concentrations from bulk atmospheric heating. The equilibrium HCN yield for a 1023 J impact is 7.0×104 moles, corresponding to a 2.5×1014 molecules per m2 surface deposition. We find that additional CN and HCN is produced under thermochemical nonequilibrium, particularly at higher altitudes. The total nonequilibrium yield for a 1023 J impact is 1.2×106 moles of HCN, a value 17 times the equilibrium result. This corresponds to a surface deposition of 1.4×1015 molecules per m2. This increase in production indicates that thermochemical nonequilibrium effects play a strong role in HCN from impact ejecta, and must be considered when investigating impacts as a plausible mechanism for significant adenine production during the LHB.

WE-AB-204-11: Development of a Nuclear Medicine Dosimetry Module for the GPU-Based Monte Carlo Code ARCHER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, T; Lin, H; Xu, X

Purpose: To develop a nuclear medicine dosimetry module for the GPU-based Monte Carlo code ARCHER. Methods: We have developed a nuclear medicine dosimetry module for the fast Monte Carlo code ARCHER. The coupled electron-photon Monte Carlo transport kernel included in ARCHER is built upon the Dose Planning Method code (DPM). The developed module manages the radioactive decay simulation by consecutively tracking several types of radiation on a per disintegration basis using the statistical sampling method. Optimization techniques such as persistent threads and prefetching are studied and implemented. The developed module is verified against the VIDA code, which is based onmore » Geant4 toolkit and has previously been verified against OLINDA/EXM. A voxelized geometry is used in the preliminary test: a sphere made of ICRP soft tissue is surrounded by a box filled with water. Uniform activity distribution of I-131 is assumed in the sphere. Results: The self-absorption dose factors (mGy/MBqs) of the sphere with varying diameters are calculated by ARCHER and VIDA respectively. ARCHER’s result is in agreement with VIDA’s that are obtained from a previous publication. VIDA takes hours of CPU time to finish the computation, while it takes ARCHER 4.31 seconds for the 12.4-cm uniform activity sphere case. For a fairer CPU-GPU comparison, more effort will be made to eliminate the algorithmic differences. Conclusion: The coupled electron-photon Monte Carlo code ARCHER has been extended to radioactive decay simulation for nuclear medicine dosimetry. The developed code exhibits good performance in our preliminary test. The GPU-based Monte Carlo code is developed with grant support from the National Institute of Biomedical Imaging and Bioengineering through an R01 grant (R01EB015478)« less

Tortuosity Computations of Porous Materials using the Direct Simulation Monte Carlo

NASA Technical Reports Server (NTRS)

Borner, A.; Ferguson, C.; Panerai, F.; Mansour, Nagi N.

2017-01-01

Low-density carbon fiber preforms, used as thermal protection systems (TPS) materials for planetary entry systems, have permeable, highly porous microstructures consisting of interlaced fibers. Internal gas transport in TPS is important in modeling the penetration of hot boundary-layer gases and the in-depth transport of pyrolysis and ablation products. The gas effective diffusion coefficient of a porous material must be known before the gas transport can be modeled in material response solvers; however, there are very little available data for rigid fibrous insulators used in heritage TPS.The tortuosity factor, which reflects the efficiency of the percolation paths, can be computed from the effective diffusion coefficient of a gas inside a porous material and is based on the micro-structure of the material. It is well known, that the tortuosity factor is a strong function of the Knudsen number. Due to the small characteristic scales of porous media used in TPS applications (typical pore size of the order of 50 micron), the transport of gases can occur in the rarefied and transitional regimes, at Knudsen numbers above 1. A proper way to model the gas dynamics at these conditions consists in solving the Boltzmann equation using particle-based methods that account for movement and collisions of atoms and molecules.In this work we adopt, for the first time, the Direct Simulation Monte Carlo (DSMC) method to compute the tortuosity factor of fibrous media in the rarefied regime. To enable realistic simulations of the actual transport of gases in the porous medium, digitized computational grids are obtained from X-ray micro-tomography imaging of real TPS materials. The SPARTA DSMC solver is used for simulations. Effective diffusion coefficients and tortuosity factors are obtained by computing the mean-square displacement of diffusing particles.We first apply the method to compute the tortuosity factors as a function of the Knudsen number for computationally designed materials such as random cylindrical fibers and packed bed of spheres with prescribed porosity. Results are compared to literature values obtained using random walk methods in the rarefied and transitional regime and a finite-volume method for the continuum regime. We then compute tortuosity factors for a real carbon fiber material with a transverse isotropic structure (FiberForm), quantifying differences between through-thickness and in-plain tortuosities at various Knudsen regimes.

Criticality Calculations with MCNP6 - Practical Lectures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, Forrest B.; Rising, Michael Evan; Alwin, Jennifer Louise

2016-11-29

These slides are used to teach MCNP (Monte Carlo N-Particle) usage to nuclear criticality safety analysts. The following are the lecture topics: course information, introduction, MCNP basics, criticality calculations, advanced geometry, tallies, adjoint-weighted tallies and sensitivities, physics and nuclear data, parameter studies, NCS validation I, NCS validation II, NCS validation III, case study 1 - solution tanks, case study 2 - fuel vault, case study 3 - B&W core, case study 4 - simple TRIGA, case study 5 - fissile mat. vault, criticality accident alarm systems. After completion of this course, you should be able to: Develop an input modelmore » for MCNP; Describe how cross section data impact Monte Carlo and deterministic codes; Describe the importance of validation of computer codes and how it is accomplished; Describe the methodology supporting Monte Carlo codes and deterministic codes; Describe pitfalls of Monte Carlo calculations; Discuss the strengths and weaknesses of Monte Carlo and Discrete Ordinants codes; The diffusion theory model is not strictly valid for treating fissile systems in which neutron absorption, voids, and/or material boundaries are present. In the context of these limitations, identify a fissile system for which a diffusion theory solution would be adequate.« less

International Cooperation. The Next Generation. Report of the DSMC 1990 - 1991 Military Research Fellows

DTIC Science & Technology

1991-09-01

Maintaining Goal Congruence International Cooperation-the Next Generation ENDNOTES 1. Wolfgang Flume and David Swa, "British Aerospace-Leading...Program Management Questionnaire Report. Michael G. Krause , DSMC internal document, May 1989- 10. Bonn Seminar on Armaments cooperation, proceedings, w...Appendix K 154 International Cooperation-the Next Generation Dudney, Robert S., "The Electronics Industry Flume, Wolfgang , "Electronics for the Ger- Is

Simulation of Nuclear Reactor Kinetics by the Monte Carlo Method

NASA Astrophysics Data System (ADS)

Gomin, E. A.; Davidenko, V. D.; Zinchenko, A. S.; Kharchenko, I. K.

2017-12-01

The KIR computer code intended for calculations of nuclear reactor kinetics using the Monte Carlo method is described. The algorithm implemented in the code is described in detail. Some results of test calculations are given.

Monte Carlo tests of the ELIPGRID-PC algorithm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davidson, J.R.

1995-04-01

The standard tool for calculating the probability of detecting pockets of contamination called hot spots has been the ELIPGRID computer code of Singer and Wickman. The ELIPGRID-PC program has recently made this algorithm available for an IBM{reg_sign} PC. However, no known independent validation of the ELIPGRID algorithm exists. This document describes a Monte Carlo simulation-based validation of a modified version of the ELIPGRID-PC code. The modified ELIPGRID-PC code is shown to match Monte Carlo-calculated hot-spot detection probabilities to within {plus_minus}0.5% for 319 out of 320 test cases. The one exception, a very thin elliptical hot spot located within a rectangularmore » sampling grid, differed from the Monte Carlo-calculated probability by about 1%. These results provide confidence in the ability of the modified ELIPGRID-PC code to accurately predict hot-spot detection probabilities within an acceptable range of error.« less

Use of Fluka to Create Dose Calculations

NASA Technical Reports Server (NTRS)

Lee, Kerry T.; Barzilla, Janet; Townsend, Lawrence; Brittingham, John

2012-01-01

Monte Carlo codes provide an effective means of modeling three dimensional radiation transport; however, their use is both time- and resource-intensive. The creation of a lookup table or parameterization from Monte Carlo simulation allows users to perform calculations with Monte Carlo results without replicating lengthy calculations. FLUKA Monte Carlo transport code was used to develop lookup tables and parameterizations for data resulting from the penetration of layers of aluminum, polyethylene, and water with areal densities ranging from 0 to 100 g/cm^2. Heavy charged ion radiation including ions from Z=1 to Z=26 and from 0.1 to 10 GeV/nucleon were simulated. Dose, dose equivalent, and fluence as a function of particle identity, energy, and scattering angle were examined at various depths. Calculations were compared against well-known results and against the results of other deterministic and Monte Carlo codes. Results will be presented.

Creating a Simple Single Computational Approach to Modeling Rarefied and Continuum Flow About Aerospace Vehicles

NASA Technical Reports Server (NTRS)

Goldstein, David B.; Varghese, Philip L.

1997-01-01

We proposed to create a single computational code incorporating methods that can model both rarefied and continuum flow to enable the efficient simulation of flow about space craft and high altitude hypersonic aerospace vehicles. The code was to use a single grid structure that permits a smooth transition between the continuum and rarefied portions of the flow. Developing an appropriate computational boundary between the two regions represented a major challenge. The primary approach chosen involves coupling a four-speed Lattice Boltzmann model for the continuum flow with the DSMC method in the rarefied regime. We also explored the possibility of using a standard finite difference Navier Stokes solver for the continuum flow. With the resulting code we will ultimately investigate three-dimensional plume impingement effects, a subject of critical importance to NASA and related to the work of Drs. Forrest Lumpkin, Steve Fitzgerald and Jay Le Beau at Johnson Space Center. Below is a brief background on the project and a summary of the results as of the end of the grant.

Parallel CARLOS-3D code development

DOE Office of Scientific and Technical Information (OSTI.GOV)

Putnam, J.M.; Kotulski, J.D.

1996-02-01

CARLOS-3D is a three-dimensional scattering code which was developed under the sponsorship of the Electromagnetic Code Consortium, and is currently used by over 80 aerospace companies and government agencies. The code has been extensively validated and runs on both serial workstations and parallel super computers such as the Intel Paragon. CARLOS-3D is a three-dimensional surface integral equation scattering code based on a Galerkin method of moments formulation employing Rao- Wilton-Glisson roof-top basis for triangular faceted surfaces. Fully arbitrary 3D geometries composed of multiple conducting and homogeneous bulk dielectric materials can be modeled. This presentation describes some of the extensions tomore » the CARLOS-3D code, and how the operator structure of the code facilitated these improvements. Body of revolution (BOR) and two-dimensional geometries were incorporated by simply including new input routines, and the appropriate Galerkin matrix operator routines. Some additional modifications were required in the combined field integral equation matrix generation routine due to the symmetric nature of the BOR and 2D operators. Quadrilateral patched surfaces with linear roof-top basis functions were also implemented in the same manner. Quadrilateral facets and triangular facets can be used in combination to more efficiently model geometries with both large smooth surfaces and surfaces with fine detail such as gaps and cracks. Since the parallel implementation in CARLOS-3D is at high level, these changes were independent of the computer platform being used. This approach minimizes code maintenance, while providing capabilities with little additional effort. Results are presented showing the performance and accuracy of the code for some large scattering problems. Comparisons between triangular faceted and quadrilateral faceted geometry representations will be shown for some complex scatterers.« less

Velocity Inversion In Cylindrical Couette Gas Flows

NASA Astrophysics Data System (ADS)

Dongari, Nishanth; Barber, Robert W.; Emerson, David R.; Zhang, Yonghao; Reese, Jason M.

2012-05-01

We investigate a power-law probability distribution function to describe the mean free path of rarefied gas molecules in non-planar geometries. A new curvature-dependent model is derived by taking into account the boundary-limiting effects on the molecular mean free path for surfaces with both convex and concave curvatures. In comparison to a planar wall, we find that the mean free path for a convex surface is higher at the wall and exhibits a sharper gradient within the Knudsen layer. In contrast, a concave wall exhibits a lower mean free path near the surface and the gradients in the Knudsen layer are shallower. The Navier-Stokes constitutive relations and velocity-slip boundary conditions are modified based on a power-law scaling to describe the mean free path, in accordance with the kinetic theory of gases, i.e. transport properties can be described in terms of the mean free path. Velocity profiles for isothermal cylindrical Couette flow are obtained using the power-law model. We demonstrate that our model is more accurate than the classical slip solution, especially in the transition regime, and we are able to capture important non-linear trends associated with the non-equilibrium physics of the Knudsen layer. In addition, we establish a new criterion for the critical accommodation coefficient that leads to the non-intuitive phenomena of velocity-inversion. Our results are compared with conventional hydrodynamic models and direct simulation Monte Carlo data. The power-law model predicts that the critical accommodation coefficient is significantly lower than that calculated using the classical slip solution and is in good agreement with available DSMC data. Our proposed constitutive scaling for non-planar surfaces is based on simple physical arguments and can be readily implemented in conventional fluid dynamics codes for arbitrary geometric configurations.

A New 3D Multi-fluid Model: A Study of Kinetic Effects and Variations of Physical Conditions in the Cometary Coma

NASA Astrophysics Data System (ADS)

Shou, Y.; Combi, M.; Toth, G.; Tenishev, V.; Fougere, N.; Jia, X.; Rubin, M.; Huang, Z.; Hansen, K.; Gombosi, T.; Bieler, A.

2016-12-01

Physics-based numerical coma models are desirable whether to interpret the spacecraft observations of the inner coma or to compare with the ground-based observations of the outer coma. In this work, we develop a multi-neutral-fluid model based on the BATS-R-US code of the University of Michigan, which is capable of computing both the inner and outer coma and simulating time-variable phenomena. It treats H2O, OH, H2, O, and H as separate fluids and each fluid has its own velocity and temperature, with collisions coupling all fluids together. The self-consistent collisional interactions decrease the velocity differences, re-distribute the excess energy deposited by chemical reactions among all species, and account for the varying heating efficiency under various physical conditions. Recognizing that the fluid approach has limitations in capturing all of the correct physics for certain applications, especially for very low density environment, we applied our multi-fluid coma model to comet 67P/Churyumov-Gerasimenko at various heliocentric distances and demonstrated that it yields comparable results to the Direct Simulation Monte Carlo (DSMC) model, which is based on a kinetic approach that is valid under these conditions. Therefore, our model may be a powerful alternative to the particle-based model, especially for some computationally intensive simulations. In addition, by running the model with several combinations of production rates and heliocentric distances, we characterize the cometary H2O expansion speeds and demonstrate the nonlinear dependencies of production rate and heliocentric distance. Our results are also compared to previous modeling work and remote observations, which serve as further validation of our model.

Plasma Flowfields Around Low Earth Orbit Objects: Aerodynamics to Underpin Orbit Predictions

NASA Astrophysics Data System (ADS)

Capon, Christopher; Boyce, Russell; Brown, Melrose

2016-07-01

Interactions between orbiting bodies and the charged space environment are complex. The large variation in passive body parameters e.g. size, geometry and materials, makes the plasma-body interaction in Low Earth Orbit (LEO) a region rich in fundamental physical phenomena. The aerodynamic interaction of LEO orbiting bodies with the neutral environment constitutes the largest non-conservative force on the body. However in general, study of the LEO plasma-body interaction has not been concerned with external flow physics, but rather with the effects on surface charging. The impact of ionospheric flow physics on the forces on space debris (and active objects) is not well understood. The work presented here investigates the contribution that plasma-body interactions have on the flow structure and hence on the total atmospheric force vector experienced by a polar orbiting LEO body. This work applies a hybrid Particle-in-Cell (PIC) - Direct Simulation Monte Carlo (DSMC) code, pdFoam, to self-consistently model the electrostatic flowfield about a cylinder with a uniform, fixed surface potential. Flow conditions are representative of the mean conditions experienced by the Earth Observing Satellite (EOS) based on the International Reference Ionosphere model (IRI-86). The electron distribution function is represented by a non-linear Boltzmann electron fluid and ion gas-surface interactions are assumed to be that of a neutralising, conducting, thermally accommodating solid wall with diffuse reflections. The variation in flowfield and aerodynamic properties with surface potential at a fixed flow condition is investigated, and insight into the relative contributions of charged and neutral species to the flow physics experienced by a LEO orbiting body is provided. This in turn is intended to help improve the fidelity of physics-based orbit predictions for space debris and other near-Earth space objects.

SKIRT: The design of a suite of input models for Monte Carlo radiative transfer simulations

NASA Astrophysics Data System (ADS)

Baes, M.; Camps, P.

2015-09-01

The Monte Carlo method is the most popular technique to perform radiative transfer simulations in a general 3D geometry. The algorithms behind and acceleration techniques for Monte Carlo radiative transfer are discussed extensively in the literature, and many different Monte Carlo codes are publicly available. On the contrary, the design of a suite of components that can be used for the distribution of sources and sinks in radiative transfer codes has received very little attention. The availability of such models, with different degrees of complexity, has many benefits. For example, they can serve as toy models to test new physical ingredients, or as parameterised models for inverse radiative transfer fitting. For 3D Monte Carlo codes, this requires algorithms to efficiently generate random positions from 3D density distributions. We describe the design of a flexible suite of components for the Monte Carlo radiative transfer code SKIRT. The design is based on a combination of basic building blocks (which can be either analytical toy models or numerical models defined on grids or a set of particles) and the extensive use of decorators that combine and alter these building blocks to more complex structures. For a number of decorators, e.g. those that add spiral structure or clumpiness, we provide a detailed description of the algorithms that can be used to generate random positions. Advantages of this decorator-based design include code transparency, the avoidance of code duplication, and an increase in code maintainability. Moreover, since decorators can be chained without problems, very complex models can easily be constructed out of simple building blocks. Finally, based on a number of test simulations, we demonstrate that our design using customised random position generators is superior to a simpler design based on a generic black-box random position generator.

A shock-layer theory based on thirteen-moment equations and DSMC calculations of rarefied hypersonic flows

NASA Technical Reports Server (NTRS)

Cheng, H. K.; Wong, Eric Y.; Dogra, V. K.

1991-01-01

Grad's thirteen-moment equations are applied to the flow behind a bow shock under the formalism of a thin shock layer. Comparison of this version of the theory with Direct Simulation Monte Carlo calculations of flows about a flat plate at finite attack angle has lent support to the approach as a useful extension of the continuum model for studying translational nonequilibrium in the shock layer. This paper reassesses the physical basis and limitations of the development with additional calculations and comparisons. The streamline correlation principle, which allows transformation of the 13-moment based system to one based on the Navier-Stokes equations, is extended to a three-dimensional formulation. The development yields a strip theory for planar lifting surfaces at finite incidences. Examples reveal that the lift-to-drag ratio is little influenced by planform geometry and varies with altitudes according to a 'bridging function' determined by correlated two-dimensional calculations.

Simulating Irregular Source Geometries for Ionian Plumes

NASA Astrophysics Data System (ADS)

McDoniel, W. J.; Goldstein, D. B.; Varghese, P. L.; Trafton, L. M.; Buchta, D. A.; Freund, J.; Kieffer, S. W.

2011-05-01

Volcanic plumes on Io respresent a complex rarefied flow into a near-vacuum in the presence of gravity. A 3D Direct Simulation Monte Carlo (DSMC) method is used to investigate the gas dynamics of such plumes, with a focus on the effects of source geometry on far-field deposition patterns. A rectangular slit and a semicircular half annulus are simulated to illustrate general principles, especially the effects of vent curvature on deposition ring structure. Then two possible models for the giant plume Pele are presented. One is a curved line source corresponding to an IR image of a particularly hot region in the volcano's caldera and the other is a large area source corresponding to the entire caldera. The former is seen to produce the features seen in observations of Pele's ring, but with an error in orientation. The latter corrects the error in orientation, but loses some structure. A hybrid simulation of 3D slit flow is also discussed.

Three-dimensional implementation of the Low Diffusion method for continuum flow simulations

NASA Astrophysics Data System (ADS)

Mirza, A.; Nizenkov, P.; Pfeiffer, M.; Fasoulas, S.

2017-11-01

Concepts of a particle-based continuum method have existed for many years. The ultimate goal is to couple such a method with the Direct Simulation Monte Carlo (DSMC) in order to bridge the gap of numerical tools in the treatment of the transitional flow regime between near-equilibrium and rarefied gas flows. For this purpose, the Low Diffusion (LD) method, introduced first by Burt and Boyd, offers a promising solution. In this paper, the LD method is revisited and the implementation in a modern particle solver named PICLas is given. The modifications of the LD routines enable three-dimensional continuum flow simulations. The implementation is successfully verified through a series of test cases: simple stationary shock, oblique shock simulation and thermal Couette flow. Additionally, the capability of this method is demonstrated by the simulation of a hypersonic nitrogen flow around a 70°-blunted cone. Overall results are in very good agreement with experimental data. Finally, the scalability of PICLas using LD on a high performance cluster is presented.

Simulation of Interaction of Strong Shocks with Gas Bubbles using the Direct Simulation Monte Carlo Method

NASA Astrophysics Data System (ADS)

Puranik, Bhalchandra; Watvisave, Deepak; Bhandarkar, Upendra

2016-11-01

The interaction of a shock with a density interface is observed in several technological applications such as supersonic combustion, inertial confinement fusion, and shock-induced fragmentation of kidney and gall-stones. The central physical process in this interaction is the mechanism of the Richtmyer-Meshkov Instability (RMI). The specific situation where the density interface is initially an isolated spherical or cylindrical gas bubble presents a relatively simple geometry that exhibits all the essential RMI processes such as reflected and refracted shocks, secondary instabilities, turbulence and mixing of the species. If the incident shocks are strong, the calorically imperfect nature needs to be modelled. In the present work, we have carried out simulations of the shock-bubble interaction using the DSMC method for such situations. Specifically, an investigation of the shock-bubble interaction with diatomic gases involving rotational and vibrational excitations at high temperatures is performed, and the effects of such high temperature phenomena will be presented.

The study of sound wave propagation in rarefied gases using unified gas-kinetic scheme

NASA Astrophysics Data System (ADS)

Wang, Rui-Jie; Xu, Kun

2012-08-01

Sound wave propagation in rarefied monatomic gases is simulated using a newly developed unified gaskinetic scheme (UGKS). The numerical calculations are carried out for a wide range of wave oscillating frequencies. The corresponding rarefaction parameter is defined as the ratio of sound wave frequency to the intermolecular particle collision frequency. The simulation covers the flow regime from the continuum to free molecule one. The treatment of the oscillating wall boundary condition and the methods for evaluating the absorption coefficient and sound wave speed are presented in detail. The simulation results from the UGKS are compared to the Navier-Stokes solutions, the direct simulation Monte Carlo (DSMC) simulation, and experimental measurements. Good agreement with the experimental data has been obtained in the whole flow regimes for the corresponding Knudsen number from 0.08 to 32. The current study clearly demonstrates the capability of the UGKS method in capturing the sound wave propagation and its usefulness for the rarefied flow study.

Experimental and Numerical Study of Nozzle Plume Impingement on Spacecraft Surfaces

NASA Astrophysics Data System (ADS)

Ketsdever, A. D.; Lilly, T. C.; Gimelshein, S. F.; Alexeenko, A. A.

2005-05-01

An experimental and numerical effort was undertaken to assess the effects of a cold gas (To=300K) nozzle plume impinging on a simulated spacecraft surface. The nozzle flow impingement is investigated experimentally using a nano-Newton resolution force balance and numerically using the Direct Simulation Monte Carlo (DSMC) numerical technique. The Reynolds number range investigated in this study is from 0.5 to approximately 900 using helium and nitrogen propellants. The thrust produced by the nozzle was first assessed on a force balance to provide a baseline case. Subsequently, an aluminum plate was attached to the same force balance at various angles from 0° (parallel to the plume flow) to 10°. For low Reynolds number helium flow, a 16.5% decrease in thrust was measured for the plate at 0° relative to the free plume expansion case. For low Reynolds number nitrogen flow, the difference was found to be 12%. The thrust degradation was found to decrease at higher Reynolds numbers and larger plate angles.

Thermally induced gas flows in ratchet channels with diffuse and specular boundaries

PubMed Central

Shahabi, Vahid; Baier, Tobias; Roohi, Ehsan; Hardt, Steffen

2017-01-01

A net gas flow can be induced in the gap between periodically structured surfaces held at fixed but different temperatures when the reflection symmetry along the channel axis is broken. Such a situation arises when one surface features a ratchet structure and can be augmented by altering the boundary conditions on different parts of this surface, with some regions reflecting specularly and others diffusely. In order to investigate the physical mechanisms inducing the flow in this configuration at various Knudsen numbers and geometric configurations, direct simulation Monte Carlo (DSMC) simulations are employed using transient adaptive subcells for collision partner selection. At large Knudsen numbers the results compare favorably with analytical expressions, while for small Knudsen numbers a qualitative explanation for the flow in the strong temperature inhomogeneity at the tips of the ratchet is provided. A detailed investigation of the performance for various ratchet geometries suggests optimum working conditions for a Knudsen pump based on this mechanism. PMID:28128309

NRMC - A GPU code for N-Reverse Monte Carlo modeling of fluids in confined media

NASA Astrophysics Data System (ADS)

Sánchez-Gil, Vicente; Noya, Eva G.; Lomba, Enrique

2017-08-01

NRMC is a parallel code for performing N-Reverse Monte Carlo modeling of fluids in confined media [V. Sánchez-Gil, E.G. Noya, E. Lomba, J. Chem. Phys. 140 (2014) 024504]. This method is an extension of the usual Reverse Monte Carlo method to obtain structural models of confined fluids compatible with experimental diffraction patterns, specifically designed to overcome the problem of slow diffusion that can appear under conditions of tight confinement. Most of the computational time in N-Reverse Monte Carlo modeling is spent in the evaluation of the structure factor for each trial configuration, a calculation that can be easily parallelized. Implementation of the structure factor evaluation in NVIDIA® CUDA so that the code can be run on GPUs leads to a speed up of up to two orders of magnitude.

The Monte Carlo photoionization and moving-mesh radiation hydrodynamics code CMACIONIZE

NASA Astrophysics Data System (ADS)

Vandenbroucke, B.; Wood, K.

2018-04-01

We present the public Monte Carlo photoionization and moving-mesh radiation hydrodynamics code CMACIONIZE, which can be used to simulate the self-consistent evolution of HII regions surrounding young O and B stars, or other sources of ionizing radiation. The code combines a Monte Carlo photoionization algorithm that uses a complex mix of hydrogen, helium and several coolants in order to self-consistently solve for the ionization and temperature balance at any given type, with a standard first order hydrodynamics scheme. The code can be run as a post-processing tool to get the line emission from an existing simulation snapshot, but can also be used to run full radiation hydrodynamical simulations. Both the radiation transfer and the hydrodynamics are implemented in a general way that is independent of the grid structure that is used to discretize the system, allowing it to be run both as a standard fixed grid code, but also as a moving-mesh code.

Capabilities overview of the MORET 5 Monte Carlo code

NASA Astrophysics Data System (ADS)

Cochet, B.; Jinaphanh, A.; Heulers, L.; Jacquet, O.

2014-06-01

The MORET code is a simulation tool that solves the transport equation for neutrons using the Monte Carlo method. It allows users to model complex three-dimensional geometrical configurations, describe the materials, define their own tallies in order to analyse the results. The MORET code has been initially designed to perform calculations for criticality safety assessments. New features has been introduced in the MORET 5 code to expand its use for reactor applications. This paper presents an overview of the MORET 5 code capabilities, going through the description of materials, the geometry modelling, the transport simulation and the definition of the outputs.

Extensions of the MCNP5 and TRIPOLI4 Monte Carlo Codes for Transient Reactor Analysis

NASA Astrophysics Data System (ADS)

Hoogenboom, J. Eduard; Sjenitzer, Bart L.

2014-06-01

To simulate reactor transients for safety analysis with the Monte Carlo method the generation and decay of delayed neutron precursors is implemented in the MCNP5 and TRIPOLI4 general purpose Monte Carlo codes. Important new variance reduction techniques like forced decay of precursors in each time interval and the branchless collision method are included to obtain reasonable statistics for the power production per time interval. For simulation of practical reactor transients also the feedback effect from the thermal-hydraulics must be included. This requires coupling of the Monte Carlo code with a thermal-hydraulics (TH) code, providing the temperature distribution in the reactor, which affects the neutron transport via the cross section data. The TH code also provides the coolant density distribution in the reactor, directly influencing the neutron transport. Different techniques for this coupling are discussed. As a demonstration a 3x3 mini fuel assembly with a moving control rod is considered for MCNP5 and a mini core existing of 3x3 PWR fuel assemblies with control rods and burnable poisons for TRIPOLI4. Results are shown for reactor transients due to control rod movement or withdrawal. The TRIPOLI4 transient calculation is started at low power and includes thermal-hydraulic feedback. The power rises about 10 decades and finally stabilises the reactor power at a much higher level than initial. The examples demonstrate that the modified Monte Carlo codes are capable of performing correct transient calculations, taking into account all geometrical and cross section detail.

Monte Carlo reference data sets for imaging research: Executive summary of the report of AAPM Research Committee Task Group 195.

PubMed

Sechopoulos, Ioannis; Ali, Elsayed S M; Badal, Andreu; Badano, Aldo; Boone, John M; Kyprianou, Iacovos S; Mainegra-Hing, Ernesto; McMillan, Kyle L; McNitt-Gray, Michael F; Rogers, D W O; Samei, Ehsan; Turner, Adam C

2015-10-01

The use of Monte Carlo simulations in diagnostic medical imaging research is widespread due to its flexibility and ability to estimate quantities that are challenging to measure empirically. However, any new Monte Carlo simulation code needs to be validated before it can be used reliably. The type and degree of validation required depends on the goals of the research project, but, typically, such validation involves either comparison of simulation results to physical measurements or to previously published results obtained with established Monte Carlo codes. The former is complicated due to nuances of experimental conditions and uncertainty, while the latter is challenging due to typical graphical presentation and lack of simulation details in previous publications. In addition, entering the field of Monte Carlo simulations in general involves a steep learning curve. It is not a simple task to learn how to program and interpret a Monte Carlo simulation, even when using one of the publicly available code packages. This Task Group report provides a common reference for benchmarking Monte Carlo simulations across a range of Monte Carlo codes and simulation scenarios. In the report, all simulation conditions are provided for six different Monte Carlo simulation cases that involve common x-ray based imaging research areas. The results obtained for the six cases using four publicly available Monte Carlo software packages are included in tabular form. In addition to a full description of all simulation conditions and results, a discussion and comparison of results among the Monte Carlo packages and the lessons learned during the compilation of these results are included. This abridged version of the report includes only an introductory description of the six cases and a brief example of the results of one of the cases. This work provides an investigator the necessary information to benchmark his/her Monte Carlo simulation software against the reference cases included here before performing his/her own novel research. In addition, an investigator entering the field of Monte Carlo simulations can use these descriptions and results as a self-teaching tool to ensure that he/she is able to perform a specific simulation correctly. Finally, educators can assign these cases as learning projects as part of course objectives or training programs.

(U) Introduction to Monte Carlo Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hungerford, Aimee L.

2017-03-20

Monte Carlo methods are very valuable for representing solutions to particle transport problems. Here we describe a “cook book” approach to handling the terms in a transport equation using Monte Carlo methods. Focus is on the mechanics of a numerical Monte Carlo code, rather than the mathematical foundations of the method.

Improvements of MCOR: A Monte Carlo depletion code system for fuel assembly reference calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tippayakul, C.; Ivanov, K.; Misu, S.

2006-07-01

This paper presents the improvements of MCOR, a Monte Carlo depletion code system for fuel assembly reference calculations. The improvements of MCOR were initiated by the cooperation between the Penn State Univ. and AREVA NP to enhance the original Penn State Univ. MCOR version in order to be used as a new Monte Carlo depletion analysis tool. Essentially, a new depletion module using KORIGEN is utilized to replace the existing ORIGEN-S depletion module in MCOR. Furthermore, the online burnup cross section generation by the Monte Carlo calculation is implemented in the improved version instead of using the burnup cross sectionmore » library pre-generated by a transport code. Other code features have also been added to make the new MCOR version easier to use. This paper, in addition, presents the result comparisons of the original and the improved MCOR versions against CASMO-4 and OCTOPUS. It was observed in the comparisons that there were quite significant improvements of the results in terms of k{sub inf}, fission rate distributions and isotopic contents. (authors)« less

MCNP (Monte Carlo Neutron Photon) capabilities for nuclear well logging calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forster, R.A.; Little, R.C.; Briesmeister, J.F.

The Los Alamos Radiation Transport Code System (LARTCS) consists of state-of-the-art Monte Carlo and discrete ordinates transport codes and data libraries. The general-purpose continuous-energy Monte Carlo code MCNP (Monte Carlo Neutron Photon), part of the LARTCS, provides a computational predictive capability for many applications of interest to the nuclear well logging community. The generalized three-dimensional geometry of MCNP is well suited for borehole-tool models. SABRINA, another component of the LARTCS, is a graphics code that can be used to interactively create a complex MCNP geometry. Users can define many source and tally characteristics with standard MCNP features. The time-dependent capabilitymore » of the code is essential when modeling pulsed sources. Problems with neutrons, photons, and electrons as either single particle or coupled particles can be calculated with MCNP. The physics of neutron and photon transport and interactions is modeled in detail using the latest available cross-section data. A rich collections of variance reduction features can greatly increase the efficiency of a calculation. MCNP is written in FORTRAN 77 and has been run on variety of computer systems from scientific workstations to supercomputers. The next production version of MCNP will include features such as continuous-energy electron transport and a multitasking option. Areas of ongoing research of interest to the well logging community include angle biasing, adaptive Monte Carlo, improved discrete ordinates capabilities, and discrete ordinates/Monte Carlo hybrid development. Los Alamos has requested approval by the Department of Energy to create a Radiation Transport Computational Facility under their User Facility Program to increase external interactions with industry, universities, and other government organizations. 21 refs.« less

Depletion Calculations Based on Perturbations. Application to the Study of a Rep-Like Assembly at Beginning of Cycle with TRIPOLI-4®.

NASA Astrophysics Data System (ADS)

Dieudonne, Cyril; Dumonteil, Eric; Malvagi, Fausto; M'Backé Diop, Cheikh

2014-06-01

For several years, Monte Carlo burnup/depletion codes have appeared, which couple Monte Carlo codes to simulate the neutron transport to deterministic methods, which handle the medium depletion due to the neutron flux. Solving Boltzmann and Bateman equations in such a way allows to track fine 3-dimensional effects and to get rid of multi-group hypotheses done by deterministic solvers. The counterpart is the prohibitive calculation time due to the Monte Carlo solver called at each time step. In this paper we present a methodology to avoid the repetitive and time-expensive Monte Carlo simulations, and to replace them by perturbation calculations: indeed the different burnup steps may be seen as perturbations of the isotopic concentration of an initial Monte Carlo simulation. In a first time we will present this method, and provide details on the perturbative technique used, namely the correlated sampling. In a second time the implementation of this method in the TRIPOLI-4® code will be discussed, as well as the precise calculation scheme a meme to bring important speed-up of the depletion calculation. Finally, this technique will be used to calculate the depletion of a REP-like assembly, studied at beginning of its cycle. After having validated the method with a reference calculation we will show that it can speed-up by nearly an order of magnitude standard Monte-Carlo depletion codes.

PyMercury: Interactive Python for the Mercury Monte Carlo Particle Transport Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iandola, F N; O'Brien, M J; Procassini, R J

2010-11-29

Monte Carlo particle transport applications are often written in low-level languages (C/C++) for optimal performance on clusters and supercomputers. However, this development approach often sacrifices straightforward usability and testing in the interest of fast application performance. To improve usability, some high-performance computing applications employ mixed-language programming with high-level and low-level languages. In this study, we consider the benefits of incorporating an interactive Python interface into a Monte Carlo application. With PyMercury, a new Python extension to the Mercury general-purpose Monte Carlo particle transport code, we improve application usability without diminishing performance. In two case studies, we illustrate how PyMercury improvesmore » usability and simplifies testing and validation in a Monte Carlo application. In short, PyMercury demonstrates the value of interactive Python for Monte Carlo particle transport applications. In the future, we expect interactive Python to play an increasingly significant role in Monte Carlo usage and testing.« less

Monte Carlo dose calculations of beta-emitting sources for intravascular brachytherapy: a comparison between EGS4, EGSnrc, and MCNP.

PubMed

Wang, R; Li, X A

2001-02-01

The dose parameters for the beta-particle emitting 90Sr/90Y source for intravascular brachytherapy (IVBT) have been calculated by different investigators. At a distant distance from the source, noticeable differences are seen in these parameters calculated using different Monte Carlo codes. The purpose of this work is to quantify as well as to understand these differences. We have compared a series of calculations using an EGS4, an EGSnrc, and the MCNP Monte Carlo codes. Data calculated and compared include the depth dose curve for a broad parallel beam of electrons, and radial dose distributions for point electron sources (monoenergetic or polyenergetic) and for a real 90Sr/90Y source. For the 90Sr/90Y source, the doses at the reference position (2 mm radial distance) calculated by the three code agree within 2%. However, the differences between the dose calculated by the three codes can be over 20% in the radial distance range interested in IVBT. The difference increases with radial distance from source, and reaches 30% at the tail of dose curve. These differences may be partially attributed to the different multiple scattering theories and Monte Carlo models for electron transport adopted in these three codes. Doses calculated by the EGSnrc code are more accurate than those by the EGS4. The two calculations agree within 5% for radial distance <6 mm.

MCNP capabilities for nuclear well logging calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forster, R.A.; Little, R.C.; Briesmeister, J.F.

The Los Alamos Radiation Transport Code System (LARTCS) consists of state-of-the-art Monte Carlo and discrete ordinates transport codes and data libraries. This paper discusses how the general-purpose continuous-energy Monte Carlo code MCNP ({und M}onte {und C}arlo {und n}eutron {und p}hoton), part of the LARTCS, provides a computational predictive capability for many applications of interest to the nuclear well logging community. The generalized three-dimensional geometry of MCNP is well suited for borehole-tool models. SABRINA, another component of the LARTCS, is a graphics code that can be used to interactively create a complex MCNP geometry. Users can define many source and tallymore » characteristics with standard MCNP features. The time-dependent capability of the code is essential when modeling pulsed sources. Problems with neutrons, photons, and electrons as either single particle or coupled particles can be calculated with MCNP. The physics of neutron and photon transport and interactions is modeled in detail using the latest available cross-section data.« less

Preliminary estimates of nucleon fluxes in a water target exposed to solar-flare protons: BRYNTRN versus Monte Carlo code

NASA Technical Reports Server (NTRS)

Shinn, Judy L.; Wilson, John W.; Lone, M. A.; Wong, P. Y.; Costen, Robert C.

1994-01-01

A baryon transport code (BRYNTRN) has previously been verified using available Monte Carlo results for a solar-flare spectrum as the reference. Excellent results were obtained, but the comparisons were limited to the available data on dose and dose equivalent for moderate penetration studies that involve minor contributions from secondary neutrons. To further verify the code, the secondary energy spectra of protons and neutrons are calculated using BRYNTRN and LAHET (Los Alamos High-Energy Transport code, which is a Monte Carlo code). These calculations are compared for three locations within a water slab exposed to the February 1956 solar-proton spectrum. Reasonable agreement was obtained when various considerations related to the calculational techniques and their limitations were taken into account. Although the Monte Carlo results are preliminary, it appears that the neutron albedo, which is not currently treated in BRYNTRN, might be a cause for the large discrepancy seen at small penetration depths. It also appears that the nonelastic neutron production cross sections in BRYNTRN may underestimate the number of neutrons produced in proton collisions with energies below 200 MeV. The notion that the poor energy resolution in BRYNTRN may cause a large truncation error in neutron elastic scattering requires further study.

Experimental benchmarking of a Monte Carlo dose simulation code for pediatric CT

NASA Astrophysics Data System (ADS)

Li, Xiang; Samei, Ehsan; Yoshizumi, Terry; Colsher, James G.; Jones, Robert P.; Frush, Donald P.

2007-03-01

In recent years, there has been a desire to reduce CT radiation dose to children because of their susceptibility and prolonged risk for cancer induction. Concerns arise, however, as to the impact of dose reduction on image quality and thus potentially on diagnostic accuracy. To study the dose and image quality relationship, we are developing a simulation code to calculate organ dose in pediatric CT patients. To benchmark this code, a cylindrical phantom was built to represent a pediatric torso, which allows measurements of dose distributions from its center to its periphery. Dose distributions for axial CT scans were measured on a 64-slice multidetector CT (MDCT) scanner (GE Healthcare, Chalfont St. Giles, UK). The same measurements were simulated using a Monte Carlo code (PENELOPE, Universitat de Barcelona) with the applicable CT geometry including bowtie filter. The deviations between simulated and measured dose values were generally within 5%. To our knowledge, this work is one of the first attempts to compare measured radial dose distributions on a cylindrical phantom with Monte Carlo simulated results. It provides a simple and effective method for benchmarking organ dose simulation codes and demonstrates the potential of Monte Carlo simulation for investigating the relationship between dose and image quality for pediatric CT patients.

Force field development with GOMC, a fast new Monte Carlo molecular simulation code

NASA Astrophysics Data System (ADS)

Mick, Jason Richard

In this work GOMC (GPU Optimized Monte Carlo) a new fast, flexible, and free molecular Monte Carlo code for the simulation atomistic chemical systems is presented. The results of a large Lennard-Jonesium simulation in the Gibbs ensemble is presented. Force fields developed using the code are also presented. To fit the models a quantitative fitting process is outlined using a scoring function and heat maps. The presented n-6 force fields include force fields for noble gases and branched alkanes. These force fields are shown to be the most accurate LJ or n-6 force fields to date for these compounds, capable of reproducing pure fluid behavior and binary mixture behavior to a high degree of accuracy.

Monte Carlo Simulation of a Segmented Detector for Low-Energy Electron Antineutrinos

NASA Astrophysics Data System (ADS)

Qomi, H. Akhtari; Safari, M. J.; Davani, F. Abbasi

2017-11-01

Detection of low-energy electron antineutrinos is of importance for several purposes, such as ex-vessel reactor monitoring, neutrino oscillation studies, etc. The inverse beta decay (IBD) is the interaction that is responsible for detection mechanism in (organic) plastic scintillation detectors. Here, a detailed study will be presented dealing with the radiation and optical transport simulation of a typical segmented antineutrino detector withMonte Carlo method using MCNPX and FLUKA codes. This study shows different aspects of the detector, benefiting from inherent capabilities of the Monte Carlo simulation codes.

Tally and geometry definition influence on the computing time in radiotherapy treatment planning with MCNP Monte Carlo code.

PubMed

Juste, B; Miro, R; Gallardo, S; Santos, A; Verdu, G

2006-01-01

The present work has simulated the photon and electron transport in a Theratron 780 (MDS Nordion) (60)Co radiotherapy unit, using the Monte Carlo transport code, MCNP (Monte Carlo N-Particle), version 5. In order to become computationally more efficient in view of taking part in the practical field of radiotherapy treatment planning, this work is focused mainly on the analysis of dose results and on the required computing time of different tallies applied in the model to speed up calculations.

Multi-Species Fluxes for the Parallel Quiet Direct Simulation (QDS) Method

NASA Astrophysics Data System (ADS)

Cave, H. M.; Lim, C.-W.; Jermy, M. C.; Krumdieck, S. P.; Smith, M. R.; Lin, Y.-J.; Wu, J.-S.

2011-05-01

Fluxes of multiple species are implemented in the Quiet Direct Simulation (QDS) scheme for gas flows. Each molecular species streams independently. All species are brought to local equilibrium at the end of each time step. The multi species scheme is compared to DSMC simulation, on a test case of a Mach 20 flow of a xenon/helium mixture over a forward facing step. Depletion of the heavier species in the bow shock and the near-wall layer are seen. The multi-species QDS code is then used to model the flow in a pulsed-pressure chemical vapour deposition reactor set up for carbon film deposition. The injected gas is a mixture of methane and hydrogen. The temporal development of the spatial distribution of methane over the substrate is tracked.

EUPDF: An Eulerian-Based Monte Carlo Probability Density Function (PDF) Solver. User's Manual

NASA Technical Reports Server (NTRS)

Raju, M. S.

1998-01-01

EUPDF is an Eulerian-based Monte Carlo PDF solver developed for application with sprays, combustion, parallel computing and unstructured grids. It is designed to be massively parallel and could easily be coupled with any existing gas-phase flow and spray solvers. The solver accommodates the use of an unstructured mesh with mixed elements of either triangular, quadrilateral, and/or tetrahedral type. The manual provides the user with the coding required to couple the PDF code to any given flow code and a basic understanding of the EUPDF code structure as well as the models involved in the PDF formulation. The source code of EUPDF will be available with the release of the National Combustion Code (NCC) as a complete package.

Second-Order Consensus in Multiagent Systems via Distributed Sliding Mode Control.

PubMed

Yu, Wenwu; Wang, He; Cheng, Fei; Yu, Xinghuo; Wen, Guanghui

2016-11-22

In this paper, the new decoupled distributed sliding-mode control (DSMC) is first proposed for second-order consensus in multiagent systems, which finally solves the fundamental unknown problem for sliding-mode control (SMC) design of coupled networked systems. A distributed full-order sliding-mode surface is designed based on the homogeneity with dilation for reaching second-order consensus in multiagent systems, under which the sliding-mode states are decoupled. Then, the SMC is applied to the decoupled sliding-mode states to reach their origin in finite time, which is the sliding-mode surface. The states of agents can first reach the designed sliding-mode surface in finite time and then move to the second-order consensus state along the surface in finite time as well. The DSMC designed in this paper can eliminate the influence of singularity problems and weaken the influence of chattering, which is still very difficult in the SMC systems. In addition, DSMC proposes a general decoupling framework for designing SMC in networked multiagent systems. Simulations are presented to verify the theoretical results in this paper.

ME(SSY)**2: Monte Carlo Code for Star Cluster Simulations

NASA Astrophysics Data System (ADS)

Freitag, Marc Dewi

2013-02-01

ME(SSY)**2 stands for “Monte-carlo Experiments with Spherically SYmmetric Stellar SYstems." This code simulates the long term evolution of spherical clusters of stars; it was devised specifically to treat dense galactic nuclei. It is based on the pioneering Monte Carlo scheme proposed by Hénon in the 70's and includes all relevant physical ingredients (2-body relaxation, stellar mass spectrum, collisions, tidal disruption, ldots). It is basically a Monte Carlo resolution of the Fokker-Planck equation. It can cope with any stellar mass spectrum or velocity distribution. Being a particle-based method, it also allows one to take stellar collisions into account in a very realistic way. This unique code, featuring most important physical processes, allows million particle simulations, spanning a Hubble time, in a few CPU days on standard personal computers and provides a wealth of data only rivalized by N-body simulations. The current version of the software requires the use of routines from the "Numerical Recipes in Fortran 77" (http://www.nrbook.com/a/bookfpdf.php).

LLNL Mercury Project Trinity Open Science Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dawson, Shawn A.

The Mercury Monte Carlo particle transport code is used to simulate the transport of radiation through urban environments. These challenging calculations include complicated geometries and require significant computational resources to complete. In the proposed Trinity Open Science calculations, I will investigate computer science aspects of the code which are relevant to convergence of the simulation quantities with increasing Monte Carlo particle counts.

A Monte-Carlo Benchmark of TRIPOLI-4® and MCNP on ITER neutronics

NASA Astrophysics Data System (ADS)

Blanchet, David; Pénéliau, Yannick; Eschbach, Romain; Fontaine, Bruno; Cantone, Bruno; Ferlet, Marc; Gauthier, Eric; Guillon, Christophe; Letellier, Laurent; Proust, Maxime; Mota, Fernando; Palermo, Iole; Rios, Luis; Guern, Frédéric Le; Kocan, Martin; Reichle, Roger

2017-09-01

Radiation protection and shielding studies are often based on the extensive use of 3D Monte-Carlo neutron and photon transport simulations. ITER organization hence recommends the use of MCNP-5 code (version 1.60), in association with the FENDL-2.1 neutron cross section data library, specifically dedicated to fusion applications. The MCNP reference model of the ITER tokamak, the `C-lite', is being continuously developed and improved. This article proposes to develop an alternative model, equivalent to the 'C-lite', but for the Monte-Carlo code TRIPOLI-4®. A benchmark study is defined to test this new model. Since one of the most critical areas for ITER neutronics analysis concerns the assessment of radiation levels and Shutdown Dose Rates (SDDR) behind the Equatorial Port Plugs (EPP), the benchmark is conducted to compare the neutron flux through the EPP. This problem is quite challenging with regard to the complex geometry and considering the important neutron flux attenuation ranging from 1014 down to 108 n•cm-2•s-1. Such code-to-code comparison provides independent validation of the Monte-Carlo simulations, improving the confidence in neutronic results.

AREVA Developments for an Efficient and Reliable use of Monte Carlo codes for Radiation Transport Applications

NASA Astrophysics Data System (ADS)

Chapoutier, Nicolas; Mollier, François; Nolin, Guillaume; Culioli, Matthieu; Mace, Jean-Reynald

2017-09-01

In the context of the rising of Monte Carlo transport calculations for any kind of application, AREVA recently improved its suite of engineering tools in order to produce efficient Monte Carlo workflow. Monte Carlo codes, such as MCNP or TRIPOLI, are recognized as reference codes to deal with a large range of radiation transport problems. However the inherent drawbacks of theses codes - laboring input file creation and long computation time - contrast with the maturity of the treatment of the physical phenomena. The goals of the recent AREVA developments were to reach similar efficiency as other mature engineering sciences such as finite elements analyses (e.g. structural or fluid dynamics). Among the main objectives, the creation of a graphical user interface offering CAD tools for geometry creation and other graphical features dedicated to the radiation field (source definition, tally definition) has been reached. The computations times are drastically reduced compared to few years ago thanks to the use of massive parallel runs, and above all, the implementation of hybrid variance reduction technics. From now engineering teams are capable to deliver much more prompt support to any nuclear projects dealing with reactors or fuel cycle facilities from conceptual phase to decommissioning.

Accelerating execution of the integrated TIGER series Monte Carlo radiation transport codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, L.M.; Hochstedler, R.D.

1997-02-01

Execution of the integrated TIGER series (ITS) of coupled electron/photon Monte Carlo radiation transport codes has been accelerated by modifying the FORTRAN source code for more efficient computation. Each member code of ITS was benchmarked and profiled with a specific test case that directed the acceleration effort toward the most computationally intensive subroutines. Techniques for accelerating these subroutines included replacing linear search algorithms with binary versions, replacing the pseudo-random number generator, reducing program memory allocation, and proofing the input files for geometrical redundancies. All techniques produced identical or statistically similar results to the original code. Final benchmark timing of themore » accelerated code resulted in speed-up factors of 2.00 for TIGER (the one-dimensional slab geometry code), 1.74 for CYLTRAN (the two-dimensional cylindrical geometry code), and 1.90 for ACCEPT (the arbitrary three-dimensional geometry code).« less

Energetic properties' investigation of removing flattening filter at phantom surface: Monte Carlo study using BEAMnrc code, DOSXYZnrc code and BEAMDP code

NASA Astrophysics Data System (ADS)

Bencheikh, Mohamed; Maghnouj, Abdelmajid; Tajmouati, Jaouad

2017-11-01

The Monte Carlo calculation method is considered to be the most accurate method for dose calculation in radiotherapy and beam characterization investigation, in this study, the Varian Clinac 2100 medical linear accelerator with and without flattening filter (FF) was modelled. The objective of this study was to determine flattening filter impact on particles' energy properties at phantom surface in terms of energy fluence, mean energy, and energy fluence distribution. The Monte Carlo codes used in this study were BEAMnrc code for simulating linac head, DOSXYZnrc code for simulating the absorbed dose in a water phantom, and BEAMDP for extracting energy properties. Field size was 10 × 10 cm2, simulated photon beam energy was 6 MV and SSD was 100 cm. The Monte Carlo geometry was validated by a gamma index acceptance rate of 99% in PDD and 98% in dose profiles, gamma criteria was 3% for dose difference and 3mm for distance to agreement. In without-FF, the energetic properties was as following: electron contribution was increased by more than 300% in energy fluence, almost 14% in mean energy and 1900% in energy fluence distribution, however, photon contribution was increased 50% in energy fluence, and almost 18% in mean energy and almost 35% in energy fluence distribution. The removing flattening filter promotes the increasing of electron contamination energy versus photon energy; our study can contribute in the evolution of removing flattening filter configuration in future linac.

Advanced Computational Methods for Monte Carlo Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, Forrest B.

This course is intended for graduate students who already have a basic understanding of Monte Carlo methods. It focuses on advanced topics that may be needed for thesis research, for developing new state-of-the-art methods, or for working with modern production Monte Carlo codes.

Recent advances and future prospects for Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, Forrest B

2010-01-01

The history of Monte Carlo methods is closely linked to that of computers: The first known Monte Carlo program was written in 1947 for the ENIAC; a pre-release of the first Fortran compiler was used for Monte Carlo In 1957; Monte Carlo codes were adapted to vector computers in the 1980s, clusters and parallel computers in the 1990s, and teraflop systems in the 2000s. Recent advances include hierarchical parallelism, combining threaded calculations on multicore processors with message-passing among different nodes. With the advances In computmg, Monte Carlo codes have evolved with new capabilities and new ways of use. Production codesmore » such as MCNP, MVP, MONK, TRIPOLI and SCALE are now 20-30 years old (or more) and are very rich in advanced featUres. The former 'method of last resort' has now become the first choice for many applications. Calculations are now routinely performed on office computers, not just on supercomputers. Current research and development efforts are investigating the use of Monte Carlo methods on FPGAs. GPUs, and many-core processors. Other far-reaching research is exploring ways to adapt Monte Carlo methods to future exaflop systems that may have 1M or more concurrent computational processes.« less

Impact of Martian atmosphere parameter uncertainties on entry vehicles aerodynamic for hypersonic rarefied conditions

NASA Astrophysics Data System (ADS)

Fei, Huang; Xu-hong, Jin; Jun-ming, Lv; Xiao-li, Cheng

2016-11-01

An attempt has been made to analyze impact of Martian atmosphere parameter uncertainties on entry vehicle aerodynamics for hypersonic rarefied conditions with a DSMC code. The code has been validated by comparing Viking vehicle flight data with present computational results. Then, by simulating flows around the Mars Science Laboratory, the impact of errors of free stream parameter uncertainties on aerodynamics is investigated. The validation results show that the present numerical approach can show good agreement with the Viking flight data. The physical and chemical properties of CO2 has strong impact on aerodynamics of Mars entry vehicles, so it is necessary to make proper corrections to the data obtained with air model in hypersonic rarefied conditions, which is consistent with the conclusions drawn in continuum regime. Uncertainties of free stream density and velocity weakly influence aerodynamics and pitching moment. However, aerodynamics appears to be little influenced by free stream temperature, the maximum error of what is below 0.5%. Center of pressure position is not sensitive to free stream parameters.

Preliminary results of 3D dose calculations with MCNP-4B code from a SPECT image.

PubMed

Rodríguez Gual, M; Lima, F F; Sospedra Alfonso, R; González González, J; Calderón Marín, C

2004-01-01

Interface software was developed to generate the input file to run Monte Carlo MCNP-4B code from medical image in Interfile format version 3.3. The software was tested using a spherical phantom of tomography slides with known cumulated activity distribution in Interfile format generated with IMAGAMMA medical image processing system. The 3D dose calculation obtained with Monte Carlo MCNP-4B code was compared with the voxel S factor method. The results show a relative error between both methods less than 1 %.

PRELIMINARY COUPLING OF THE MONTE CARLO CODE OPENMC AND THE MULTIPHYSICS OBJECT-ORIENTED SIMULATION ENVIRONMENT (MOOSE) FOR ANALYZING DOPPLER FEEDBACK IN MONTE CARLO SIMULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matthew Ellis; Derek Gaston; Benoit Forget

In recent years the use of Monte Carlo methods for modeling reactors has become feasible due to the increasing availability of massively parallel computer systems. One of the primary challenges yet to be fully resolved, however, is the efficient and accurate inclusion of multiphysics feedback in Monte Carlo simulations. The research in this paper presents a preliminary coupling of the open source Monte Carlo code OpenMC with the open source Multiphysics Object-Oriented Simulation Environment (MOOSE). The coupling of OpenMC and MOOSE will be used to investigate efficient and accurate numerical methods needed to include multiphysics feedback in Monte Carlo codes.more » An investigation into the sensitivity of Doppler feedback to fuel temperature approximations using a two dimensional 17x17 PWR fuel assembly is presented in this paper. The results show a functioning multiphysics coupling between OpenMC and MOOSE. The coupling utilizes Functional Expansion Tallies to accurately and efficiently transfer pin power distributions tallied in OpenMC to unstructured finite element meshes used in MOOSE. The two dimensional PWR fuel assembly case also demonstrates that for a simplified model the pin-by-pin doppler feedback can be adequately replicated by scaling a representative pin based on pin relative powers.« less

WARP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bergmann, Ryan M.; Rowland, Kelly L.

2017-04-12

WARP, which can stand for ``Weaving All the Random Particles,'' is a three-dimensional (3D) continuous energy Monte Carlo neutron transport code developed at UC Berkeley to efficiently execute on NVIDIA graphics processing unit (GPU) platforms. WARP accelerates Monte Carlo simulations while preserving the benefits of using the Monte Carlo method, namely, that very few physical and geometrical simplifications are applied. WARP is able to calculate multiplication factors, neutron flux distributions (in both space and energy), and fission source distributions for time-independent neutron transport problems. It can run in both criticality or fixed source modes, but fixed source mode is currentlymore » not robust, optimized, or maintained in the newest version. WARP can transport neutrons in unrestricted arrangements of parallelepipeds, hexagonal prisms, cylinders, and spheres. The goal of developing WARP is to investigate algorithms that can grow into a full-featured, continuous energy, Monte Carlo neutron transport code that is accelerated by running on GPUs. The crux of the effort is to make Monte Carlo calculations faster while producing accurate results. Modern supercomputers are commonly being built with GPU coprocessor cards in their nodes to increase their computational efficiency and performance. GPUs execute efficiently on data-parallel problems, but most CPU codes, including those for Monte Carlo neutral particle transport, are predominantly task-parallel. WARP uses a data-parallel neutron transport algorithm to take advantage of the computing power GPUs offer.« less

Morse Monte Carlo Radiation Transport Code System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emmett, M.B.

1975-02-01

The report contains sections containing descriptions of the MORSE and PICTURE codes, input descriptions, sample problems, deviations of the physical equations and explanations of the various error messages. The MORSE code is a multipurpose neutron and gamma-ray transport Monte Carlo code. Time dependence for both shielding and criticality problems is provided. General three-dimensional geometry may be used with an albedo option available at any material surface. The PICTURE code provide aid in preparing correct input data for the combinatorial geometry package CG. It provides a printed view of arbitrary two-dimensional slices through the geometry. By inspecting these pictures one maymore » determine if the geometry specified by the input cards is indeed the desired geometry. 23 refs. (WRF)« less

Portable LQCD Monte Carlo code using OpenACC

NASA Astrophysics Data System (ADS)

Bonati, Claudio; Calore, Enrico; Coscetti, Simone; D'Elia, Massimo; Mesiti, Michele; Negro, Francesco; Fabio Schifano, Sebastiano; Silvi, Giorgio; Tripiccione, Raffaele

2018-03-01

Varying from multi-core CPU processors to many-core GPUs, the present scenario of HPC architectures is extremely heterogeneous. In this context, code portability is increasingly important for easy maintainability of applications; this is relevant in scientific computing where code changes are numerous and frequent. In this talk we present the design and optimization of a state-of-the-art production level LQCD Monte Carlo application, using the OpenACC directives model. OpenACC aims to abstract parallel programming to a descriptive level, where programmers do not need to specify the mapping of the code on the target machine. We describe the OpenACC implementation and show that the same code is able to target different architectures, including state-of-the-art CPUs and GPUs.

Modelling of the inner gas and dust coma of comet 67P/Churyumov-Gerasimenko using ROSINA/COPS and OSIRIS data - First results

NASA Astrophysics Data System (ADS)

Marschall, R.; Su, C. C.; Liao, Y.; Thomas, N.; Wu, J. S.; Altwegg, K.; Sierks, H.; Ip, W.-H.; Keller, H. U.; Knollenberg, J.; Kührt, E.; Lai, I. L.; Rubin, M.; Skorov, Y.; Jorda, L.; Preusker, F.; Scholten, F.; Gicquel, A.; Gracia-Berná, A.; Naletto, G.

2015-10-01

The physics of the outflow above the surface of comets is somewhat complex. Ice sublimating into vacuum forms a non-equilibrium boundary layer, the "Knudsen layer" (Kn-layer), with a scale height of #20 mean free paths. If the production rate is low, the Kn-layer becomes infinitely thick and the velocity distribution function (VDF) remains strongly non-Maxwellian. Thus our preferred method for gas dynamics simulations of the coma is Direct Simulation Monte Carlo DSMC. Here we report on the first results of models of the outflow from the Rosetta target, comet67P/Churyumov-Gerasimenko (C-G). Our aims are to (1) determine the gas flow-field of H2O and CO2 in the innermost coma and compare the results to the in-situ measurements of the ROSINA/COPS instrument (2) produce artificial images of the dust brightnesses that can be compared to the OSIRIS cameras. The comparison with ROSINA/COPS and OSIRIS data help to constrain the initial conditions of the simulations and thus yield information on the surface processes.

Simulation Approach for Microscale Noncontinuum Gas-Phase Heat Transfer

NASA Astrophysics Data System (ADS)

Torczynski, J. R.; Gallis, M. A.

2008-11-01

In microscale thermal actuators, gas-phase heat transfer from the heated beams to the adjacent unheated substrate is often the main energy-loss mechanism. Since the beam-substrate gap is comparable to the molecular mean free path, noncontinuum gas effects are important. A simulation approach is presented in which gas-phase heat transfer is described by Fourier's law in the bulk gas and by a wall boundary condition that equates the normal heat flux to the product of the gas-solid temperature difference and a heat transfer coefficient. The dimensionless parameters in this heat transfer coefficient are determined by comparison to Direct Simulation Monte Carlo (DSMC) results for heat transfer from beams of rectangular cross section to the substrate at free-molecular to near-continuum gas pressures. This simulation approach produces reasonably accurate gas-phase heat-transfer results for wide ranges of beam geometries and gas pressures. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Gas Near a Wall: Shortened Mean Free Path, Reduced Viscosity, and the Manifestation of the Knudsen Layer in the Navier-Stokes Solution of a Shear Flow

NASA Astrophysics Data System (ADS)

Abramov, Rafail V.

2018-06-01

For the gas near a solid planar wall, we propose a scaling formula for the mean free path of a molecule as a function of the distance from the wall, under the assumption of a uniform distribution of the incident directions of the molecular free flight. We subsequently impose the same scaling onto the viscosity of the gas near the wall and compute the Navier-Stokes solution of the velocity of a shear flow parallel to the wall. Under the simplifying assumption of constant temperature of the gas, the velocity profile becomes an explicit nonlinear function of the distance from the wall and exhibits a Knudsen boundary layer near the wall. To verify the validity of the obtained formula, we perform the Direct Simulation Monte Carlo computations for the shear flow of argon and nitrogen at normal density and temperature. We find excellent agreement between our velocity approximation and the computed DSMC velocity profiles both within the Knudsen boundary layer and away from it.

Extension of the quantum-kinetic model to lunar and Mars return physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liechty, D. S.; Lewis, M. J.

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high-mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. A recently introduced molecular-level chemistry model, the quantum-kinetic, or Q-K, model that predicts reaction rates for gases in thermal equilibrium and non-equilibrium using only kinetic theory and fundamental molecular properties, is extended in the current work to include electronic energy level transitions and reactions involving charged particles. Like the Q-K procedures for neutral species chemical reactions, these new models are phenomenological procedures that aimmore » to reproduce the reaction/transition rates but do not necessarily capture the exact physics. These engineering models are necessarily efficient due to the requirement to compute billions of simulated collisions in direct simulation Monte Carlo (DSMC) simulations. The new models are shown to generally agree within the spread of reported transition and reaction rates from the literature for near equilibrium conditions.« less

New approach in direct-simulation of gas mixtures

NASA Technical Reports Server (NTRS)

Chung, Chan-Hong; De Witt, Kenneth J.; Jeng, Duen-Ren

1991-01-01

Results are reported for an investigation of a new direct-simulation Monte Carlo method by which energy transfer and chemical reactions are calculated. The new method, which reduces to the variable cross-section hard sphere model as a special case, allows different viscosity-temperature exponents for each species in a gas mixture when combined with a modified Larsen-Borgnakke phenomenological model. This removes the most serious limitation of the usefulness of the model for engineering simulations. The necessary kinetic theory for the application of the new method to mixtures of monatomic or polyatomic gases is presented, including gas mixtures involving chemical reactions. Calculations are made for the relaxation of a diatomic gas mixture, a plane shock wave in a gas mixture, and a chemically reacting gas flow along the stagnation streamline in front of a hypersonic vehicle. Calculated results show that the introduction of different molecular interactions for each species in a gas mixture produces significant differences in comparison with a common molecular interaction for all species in the mixture. This effect should not be neglected for accurate DSMC simulations in an engineering context.

Porosity Gradient at the Surface of Comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Christou, C.; Dadzie, S. K.; Thomas, N.; Hartogh, P.; Jorda, L.; Kuhrt, E.; Wright, I.; Zarnecki, J.

2017-12-01

The Rosetta mission has provided invaluable and unexpected information about our knowledge and understanding of comets until now. The on-board instruments, ROSINA and VIRTIS showed the non-uniformly outgassing of H2O over the surface of the nucleus. After Philae landing in a small lobe and the attempt to intrude MUPUS into the surface led to estimate the minimum compressive strength of material > 4MPa. This high strength of material (at least locally) along with different porosity ranges that have been presented for the 67P/Churyumov-Gerasimenko (67P) challenge our understanding of the surface and outgassing processes. Here we used the micro computed tomography (micro-CT) technology to represent 3D Earth rock samples with different porosity to investigate outgassing in the near surface boundary layer. The Direct Simulation of Monte Carlo (DSMC) method is used to simulate the rarefied cometary atmosphere. We presented results with H2O outgassing at a maximum production rate near perihelion. We show that an existence of a possible porosity gradient at the surface of the comet may explain some of the structures observed on 67P.

High-Fidelity Coupled Monte-Carlo/Thermal-Hydraulics Calculations

NASA Astrophysics Data System (ADS)

Ivanov, Aleksandar; Sanchez, Victor; Ivanov, Kostadin

2014-06-01

Monte Carlo methods have been used as reference reactor physics calculation tools worldwide. The advance in computer technology allows the calculation of detailed flux distributions in both space and energy. In most of the cases however, those calculations are done under the assumption of homogeneous material density and temperature distributions. The aim of this work is to develop a consistent methodology for providing realistic three-dimensional thermal-hydraulic distributions by coupling the in-house developed sub-channel code SUBCHANFLOW with the standard Monte-Carlo transport code MCNP. In addition to the innovative technique of on-the fly material definition, a flux-based weight-window technique has been introduced to improve both the magnitude and the distribution of the relative errors. Finally, a coupled code system for the simulation of steady-state reactor physics problems has been developed. Besides the problem of effective feedback data interchange between the codes, the treatment of temperature dependence of the continuous energy nuclear data has been investigated.

Positron follow-up in liquid water: I. A new Monte Carlo track-structure code.

PubMed

Champion, C; Le Loirec, C

2006-04-07

When biological matter is irradiated by charged particles, a wide variety of interactions occur, which lead to a deep modification of the cellular environment. To understand the fine structure of the microscopic distribution of energy deposits, Monte Carlo event-by-event simulations are particularly suitable. However, the development of these track-structure codes needs accurate interaction cross sections for all the electronic processes: ionization, excitation, positronium formation and even elastic scattering. Under these conditions, we have recently developed a Monte Carlo code for positrons in water, the latter being commonly used to simulate the biological medium. All the processes are studied in detail via theoretical differential and total cross-section calculations performed by using partial wave methods. Comparisons with existing theoretical and experimental data in terms of stopping powers, mean energy transfers and ranges show very good agreements. Moreover, thanks to the theoretical description of positronium formation, we have access, for the first time, to the complete kinematics of the electron capture process. Then, the present Monte Carlo code is able to describe the detailed positronium history, which will provide useful information for medical imaging (like positron emission tomography) where improvements are needed to define with the best accuracy the tumoural volumes.

Validation of a personalized dosimetric evaluation tool (Oedipe) for targeted radiotherapy based on the Monte Carlo MCNPX code

NASA Astrophysics Data System (ADS)

Chiavassa, S.; Aubineau-Lanièce, I.; Bitar, A.; Lisbona, A.; Barbet, J.; Franck, D.; Jourdain, J. R.; Bardiès, M.

2006-02-01

Dosimetric studies are necessary for all patients treated with targeted radiotherapy. In order to attain the precision required, we have developed Oedipe, a dosimetric tool based on the MCNPX Monte Carlo code. The anatomy of each patient is considered in the form of a voxel-based geometry created using computed tomography (CT) images or magnetic resonance imaging (MRI). Oedipe enables dosimetry studies to be carried out at the voxel scale. Validation of the results obtained by comparison with existing methods is complex because there are multiple sources of variation: calculation methods (different Monte Carlo codes, point kernel), patient representations (model or specific) and geometry definitions (mathematical or voxel-based). In this paper, we validate Oedipe by taking each of these parameters into account independently. Monte Carlo methodology requires long calculation times, particularly in the case of voxel-based geometries, and this is one of the limits of personalized dosimetric methods. However, our results show that the use of voxel-based geometry as opposed to a mathematically defined geometry decreases the calculation time two-fold, due to an optimization of the MCNPX2.5e code. It is therefore possible to envisage the use of Oedipe for personalized dosimetry in the clinical context of targeted radiotherapy.

Performance and accuracy of criticality calculations performed using WARP – A framework for continuous energy Monte Carlo neutron transport in general 3D geometries on GPUs

DOE PAGES

Bergmann, Ryan M.; Rowland, Kelly L.; Radnović, Nikola; ...

2017-05-01

In this companion paper to "Algorithmic Choices in WARP - A Framework for Continuous Energy Monte Carlo Neutron Transport in General 3D Geometries on GPUs" (doi:10.1016/j.anucene.2014.10.039), the WARP Monte Carlo neutron transport framework for graphics processing units (GPUs) is benchmarked against production-level central processing unit (CPU) Monte Carlo neutron transport codes for both performance and accuracy. We compare neutron flux spectra, multiplication factors, runtimes, speedup factors, and costs of various GPU and CPU platforms running either WARP, Serpent 2.1.24, or MCNP 6.1. WARP compares well with the results of the production-level codes, and it is shown that on the newestmore » hardware considered, GPU platforms running WARP are between 0.8 to 7.6 times as fast as CPU platforms running production codes. Also, the GPU platforms running WARP were between 15% and 50% as expensive to purchase and between 80% to 90% as expensive to operate as equivalent CPU platforms performing at an equal simulation rate.« less

Performance and accuracy of criticality calculations performed using WARP – A framework for continuous energy Monte Carlo neutron transport in general 3D geometries on GPUs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bergmann, Ryan M.; Rowland, Kelly L.; Radnović, Nikola

In this companion paper to "Algorithmic Choices in WARP - A Framework for Continuous Energy Monte Carlo Neutron Transport in General 3D Geometries on GPUs" (doi:10.1016/j.anucene.2014.10.039), the WARP Monte Carlo neutron transport framework for graphics processing units (GPUs) is benchmarked against production-level central processing unit (CPU) Monte Carlo neutron transport codes for both performance and accuracy. We compare neutron flux spectra, multiplication factors, runtimes, speedup factors, and costs of various GPU and CPU platforms running either WARP, Serpent 2.1.24, or MCNP 6.1. WARP compares well with the results of the production-level codes, and it is shown that on the newestmore » hardware considered, GPU platforms running WARP are between 0.8 to 7.6 times as fast as CPU platforms running production codes. Also, the GPU platforms running WARP were between 15% and 50% as expensive to purchase and between 80% to 90% as expensive to operate as equivalent CPU platforms performing at an equal simulation rate.« less

Treating voxel geometries in radiation protection dosimetry with a patched version of the Monte Carlo codes MCNP and MCNPX.

PubMed

Burn, K W; Daffara, C; Gualdrini, G; Pierantoni, M; Ferrari, P

2007-01-01

The question of Monte Carlo simulation of radiation transport in voxel geometries is addressed. Patched versions of the MCNP and MCNPX codes are developed aimed at transporting radiation both in the standard geometry mode and in the voxel geometry treatment. The patched code reads an unformatted FORTRAN file derived from DICOM format data and uses special subroutines to handle voxel-to-voxel radiation transport. The various phases of the development of the methodology are discussed together with the new input options. Examples are given of employment of the code in internal and external dosimetry and comparisons with results from other groups are reported.

Verification of Three Dimensional Triangular Prismatic Discrete Ordinates Transport Code ENSEMBLE-TRIZ by Comparison with Monte Carlo Code GMVP

NASA Astrophysics Data System (ADS)

Homma, Yuto; Moriwaki, Hiroyuki; Ohki, Shigeo; Ikeda, Kazumi

2014-06-01

This paper deals with verification of three dimensional triangular prismatic discrete ordinates transport calculation code ENSEMBLE-TRIZ by comparison with multi-group Monte Carlo calculation code GMVP in a large fast breeder reactor. The reactor is a 750 MWe electric power sodium cooled reactor. Nuclear characteristics are calculated at beginning of cycle of an initial core and at beginning and end of cycle of equilibrium core. According to the calculations, the differences between the two methodologies are smaller than 0.0002 Δk in the multi-plication factor, relatively about 1% in the control rod reactivity, and 1% in the sodium void reactivity.

Sliding mode stabilisation of networked systems with consecutive data packet dropouts using only accessible information

NASA Astrophysics Data System (ADS)

Argha, Ahmadreza; Li, Li; W. Su, Steven

2017-04-01

This paper develops a novel stabilising sliding mode for systems involving uncertainties as well as measurement data packet dropouts. In contrast to the existing literature that designs the switching function by using unavailable system states, a novel linear sliding function is constructed by employing only the available communicated system states for the systems involving measurement packet losses. This also equips us with the possibility to build a novel switching component for discrete-time sliding mode control (DSMC) by using only available system states. Finally, using a numerical example, we evaluate the performance of the designed DSMC for networked systems.

Monte Carlo Calculations of Polarized Microwave Radiation Emerging from Cloud Structures

NASA Technical Reports Server (NTRS)

Kummerow, Christian; Roberti, Laura

1998-01-01

The last decade has seen tremendous growth in cloud dynamical and microphysical models that are able to simulate storms and storm systems with very high spatial resolution, typically of the order of a few kilometers. The fairly realistic distributions of cloud and hydrometeor properties that these models generate has in turn led to a renewed interest in the three-dimensional microwave radiative transfer modeling needed to understand the effect of cloud and rainfall inhomogeneities upon microwave observations. Monte Carlo methods, and particularly backwards Monte Carlo methods have shown themselves to be very desirable due to the quick convergence of the solutions. Unfortunately, backwards Monte Carlo methods are not well suited to treat polarized radiation. This study reviews the existing Monte Carlo methods and presents a new polarized Monte Carlo radiative transfer code. The code is based on a forward scheme but uses aliasing techniques to keep the computational requirements equivalent to the backwards solution. Radiative transfer computations have been performed using a microphysical-dynamical cloud model and the results are presented together with the algorithm description.

Monte Carlo Techniques for Nuclear Systems - Theory Lectures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, Forrest B.

These are lecture notes for a Monte Carlo class given at the University of New Mexico. The following topics are covered: course information; nuclear eng. review & MC; random numbers and sampling; computational geometry; collision physics; tallies and statistics; eigenvalue calculations I; eigenvalue calculations II; eigenvalue calculations III; variance reduction; parallel Monte Carlo; parameter studies; fission matrix and higher eigenmodes; doppler broadening; Monte Carlo depletion; HTGR modeling; coupled MC and T/H calculations; fission energy deposition. Solving particle transport problems with the Monte Carlo method is simple - just simulate the particle behavior. The devil is in the details, however. Thesemore » lectures provide a balanced approach to the theory and practice of Monte Carlo simulation codes. The first lectures provide an overview of Monte Carlo simulation methods, covering the transport equation, random sampling, computational geometry, collision physics, and statistics. The next lectures focus on the state-of-the-art in Monte Carlo criticality simulations, covering the theory of eigenvalue calculations, convergence analysis, dominance ratio calculations, bias in Keff and tallies, bias in uncertainties, a case study of a realistic calculation, and Wielandt acceleration techniques. The remaining lectures cover advanced topics, including HTGR modeling and stochastic geometry, temperature dependence, fission energy deposition, depletion calculations, parallel calculations, and parameter studies. This portion of the class focuses on using MCNP to perform criticality calculations for reactor physics and criticality safety applications. It is an intermediate level class, intended for those with at least some familiarity with MCNP. Class examples provide hands-on experience at running the code, plotting both geometry and results, and understanding the code output. The class includes lectures & hands-on computer use for a variety of Monte Carlo calculations. Beginning MCNP users are encouraged to review LA-UR-09-00380, "Criticality Calculations with MCNP: A Primer (3nd Edition)" (available at http:// mcnp.lanl.gov under "Reference Collection") prior to the class. No Monte Carlo class can be complete without having students write their own simple Monte Carlo routines for basic random sampling, use of the random number generator, and simplified particle transport simulation.« less

In Depth Analysis of AVCOAT TPS Response to a Reentry Flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Titov, E. V.; Kumar, Rakesh; Levin, D. A.

2011-05-20

Modeling of the high altitude portion of reentry vehicle trajectories with DSMC or statistical BGK solvers requires accurate evaluation of the boundary conditions at the ablating TPS surface. Presented in this article is a model which takes into account the complex ablation physics including the production of pyrolysis gases, and chemistry at the TPS surface. Since the ablation process is time dependent the modeling of the material response to the high energy reentry flow starts with the solution of the rarefied flow over the vehicle and then loosely couples with the material response. The objective of the present work ismore » to carry out conjugate thermal analysis by weakly coupling a flow solver to a material thermal response model. The latter model solves the one dimensional heat conduction equation accounting for the pyrolysis process that takes place in the reaction zone of an ablative thermal protection system (TPS) material. An estimate of the temperature range within which the pyrolysis reaction (decomposition and volatilization) takes place is obtained from Ref. [1]. The pyrolysis reaction results in the formation of char and the release of gases through the porous charred material. These gases remove additional amount of heat as they pass through the material, thus cooling the material (the process known as transpiration cooling). In the present work, we incorporate the transpiration cooling model in the material thermal response code in addition to the pyrolysis model. The flow in the boundary layer and in the vicinity of the TPS material is in the transitional flow regime. Therefore, we use a previously validated statistical BGK method to model the flow physics in the vicinity of the micro-cracks, since the BGK method allows simulations of flow at pressures higher than can be computed using DSMC.« less

Performance Study of Monte Carlo Codes on Xeon Phi Coprocessors — Testing MCNP 6.1 and Profiling ARCHER Geometry Module on the FS7ONNi Problem

NASA Astrophysics Data System (ADS)

Liu, Tianyu; Wolfe, Noah; Lin, Hui; Zieb, Kris; Ji, Wei; Caracappa, Peter; Carothers, Christopher; Xu, X. George

2017-09-01

This paper contains two parts revolving around Monte Carlo transport simulation on Intel Many Integrated Core coprocessors (MIC, also known as Xeon Phi). (1) MCNP 6.1 was recompiled into multithreading (OpenMP) and multiprocessing (MPI) forms respectively without modification to the source code. The new codes were tested on a 60-core 5110P MIC. The test case was FS7ONNi, a radiation shielding problem used in MCNP's verification and validation suite. It was observed that both codes became slower on the MIC than on a 6-core X5650 CPU, by a factor of 4 for the MPI code and, abnormally, 20 for the OpenMP code, and both exhibited limited capability of strong scaling. (2) We have recently added a Constructive Solid Geometry (CSG) module to our ARCHER code to provide better support for geometry modelling in radiation shielding simulation. The functions of this module are frequently called in the particle random walk process. To identify the performance bottleneck we developed a CSG proxy application and profiled the code using the geometry data from FS7ONNi. The profiling data showed that the code was primarily memory latency bound on the MIC. This study suggests that despite low initial porting e_ort, Monte Carlo codes do not naturally lend themselves to the MIC platform — just like to the GPUs, and that the memory latency problem needs to be addressed in order to achieve decent performance gain.

Monte Carlo simulation of proton track structure in biological matter

DOE PAGES

Quinto, Michele A.; Monti, Juan M.; Weck, Philippe F.; ...

2017-05-25

Here, understanding the radiation-induced effects at the cellular and subcellular levels remains crucial for predicting the evolution of irradiated biological matter. In this context, Monte Carlo track-structure simulations have rapidly emerged among the most suitable and powerful tools. However, most existing Monte Carlo track-structure codes rely heavily on the use of semi-empirical cross sections as well as water as a surrogate for biological matter. In the current work, we report on the up-to-date version of our homemade Monte Carlo code TILDA-V – devoted to the modeling of the slowing-down of 10 keV–100 MeV protons in both water and DNA –more » where the main collisional processes are described by means of an extensive set of ab initio differential and total cross sections.« less

Monte Carlo simulation of proton track structure in biological matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quinto, Michele A.; Monti, Juan M.; Weck, Philippe F.

Here, understanding the radiation-induced effects at the cellular and subcellular levels remains crucial for predicting the evolution of irradiated biological matter. In this context, Monte Carlo track-structure simulations have rapidly emerged among the most suitable and powerful tools. However, most existing Monte Carlo track-structure codes rely heavily on the use of semi-empirical cross sections as well as water as a surrogate for biological matter. In the current work, we report on the up-to-date version of our homemade Monte Carlo code TILDA-V – devoted to the modeling of the slowing-down of 10 keV–100 MeV protons in both water and DNA –more » where the main collisional processes are described by means of an extensive set of ab initio differential and total cross sections.« less

Acceleration of Monte Carlo simulation of photon migration in complex heterogeneous media using Intel many-integrated core architecture.

PubMed

Gorshkov, Anton V; Kirillin, Mikhail Yu

2015-08-01

Over two decades, the Monte Carlo technique has become a gold standard in simulation of light propagation in turbid media, including biotissues. Technological solutions provide further advances of this technique. The Intel Xeon Phi coprocessor is a new type of accelerator for highly parallel general purpose computing, which allows execution of a wide range of applications without substantial code modification. We present a technical approach of porting our previously developed Monte Carlo (MC) code for simulation of light transport in tissues to the Intel Xeon Phi coprocessor. We show that employing the accelerator allows reducing computational time of MC simulation and obtaining simulation speed-up comparable to GPU. We demonstrate the performance of the developed code for simulation of light transport in the human head and determination of the measurement volume in near-infrared spectroscopy brain sensing.

Common radiation analysis model for 75,000 pound thrust NERVA engine (1137400E)

NASA Technical Reports Server (NTRS)

Warman, E. A.; Lindsey, B. A.

1972-01-01

The mathematical model and sources of radiation used for the radiation analysis and shielding activities in support of the design of the 1137400E version of the 75,000 lbs thrust NERVA engine are presented. The nuclear subsystem (NSS) and non-nuclear components are discussed. The geometrical model for the NSS is two dimensional as required for the DOT discrete ordinates computer code or for an azimuthally symetrical three dimensional Point Kernel or Monte Carlo code. The geometrical model for the non-nuclear components is three dimensional in the FASTER geometry format. This geometry routine is inherent in the ANSC versions of the QAD and GGG Point Kernal programs and the COHORT Monte Carlo program. Data are included pertaining to a pressure vessel surface radiation source data tape which has been used as the basis for starting ANSC analyses with the DASH code to bridge into the COHORT Monte Carlo code using the WANL supplied DOT angular flux leakage data. In addition to the model descriptions and sources of radiation, the methods of analyses are briefly described.

Supernova Light Curves and Spectra from Two Different Codes: Supernu and Phoenix

NASA Astrophysics Data System (ADS)

Van Rossum, Daniel R; Wollaeger, Ryan T

2014-08-01

The observed similarities between light curve shapes from Type Ia supernovae, and in particular the correlation of light curve shape and brightness, have been actively studied for more than two decades. In recent years, hydronamic simulations of white dwarf explosions have advanced greatly, and multiple mechanisms that could potentially produce Type Ia supernovae have been explored in detail. The question which of the proposed mechanisms is (or are) possibly realized in nature remains challenging to answer, but detailed synthetic light curves and spectra from explosion simulations are very helpful and important guidelines towards answering this question.We present results from a newly developed radiation transport code, Supernu. Supernu solves the supernova radiation transfer problem uses a novel technique based on a hybrid between Implicit Monte Carlo and Discrete Diffusion Monte Carlo. This technique enhances the efficiency with respect to traditional implicit monte carlo codes and thus lends itself perfectly for multi-dimensional simulations. We show direct comparisons of light curves and spectra from Type Ia simulations with Supernu versus the legacy Phoenix code.

A collision history-based approach to Sensitivity/Perturbation calculations in the continuous energy Monte Carlo code SERPENT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giuseppe Palmiotti

In this work, the implementation of a collision history-based approach to sensitivity/perturbation calculations in the Monte Carlo code SERPENT is discussed. The proposed methods allow the calculation of the eects of nuclear data perturbation on several response functions: the eective multiplication factor, reaction rate ratios and bilinear ratios (e.g., eective kinetics parameters). SERPENT results are compared to ERANOS and TSUNAMI Generalized Perturbation Theory calculations for two fast metallic systems and for a PWR pin-cell benchmark. New methods for the calculation of sensitivities to angular scattering distributions are also presented, which adopts fully continuous (in energy and angle) Monte Carlo estimators.

A comparison of the COG and MCNP codes in computational neutron capture therapy modeling, Part I: boron neutron capture therapy models.

PubMed

Culbertson, C N; Wangerin, K; Ghandourah, E; Jevremovic, T

2005-08-01

The goal of this study was to evaluate the COG Monte Carlo radiation transport code, developed and tested by Lawrence Livermore National Laboratory, for neutron capture therapy related modeling. A boron neutron capture therapy model was analyzed comparing COG calculational results to results from the widely used MCNP4B (Monte Carlo N-Particle) transport code. The approach for computing neutron fluence rate and each dose component relevant in boron neutron capture therapy is described, and calculated values are shown in detail. The differences between the COG and MCNP predictions are qualified and quantified. The differences are generally small and suggest that the COG code can be applied for BNCT research related problems.

Path Toward a Unified Geometry for Radiation Transport

NASA Astrophysics Data System (ADS)

Lee, Kerry

The Direct Accelerated Geometry for Radiation Analysis and Design (DAGRAD) element of the RadWorks Project under Advanced Exploration Systems (AES) within the Space Technology Mission Directorate (STMD) of NASA will enable new designs and concepts of operation for radiation risk assessment, mitigation and protection. This element is designed to produce a solution that will allow NASA to calculate the transport of space radiation through complex CAD models using the state-of-the-art analytic and Monte Carlo radiation transport codes. Due to the inherent hazard of astronaut and spacecraft exposure to ionizing radiation in low-Earth orbit (LEO) or in deep space, risk analyses must be performed for all crew vehicles and habitats. Incorporating these analyses into the design process can minimize the mass needed solely for radiation protection. Transport of the radiation fields as they pass through shielding and body materials can be simulated using Monte Carlo techniques or described by the Boltzmann equation, which is obtained by balancing changes in particle fluxes as they traverse a small volume of material with the gains and losses caused by atomic and nuclear collisions. Deterministic codes that solve the Boltzmann transport equation, such as HZETRN (high charge and energy transport code developed by NASA LaRC), are generally computationally faster than Monte Carlo codes such as FLUKA, GEANT4, MCNP(X) or PHITS; however, they are currently limited to transport in one dimension, which poorly represents the secondary light ion and neutron radiation fields. NASA currently uses HZETRN space radiation transport software, both because it is computationally efficient and because proven methods have been developed for using this software to analyze complex geometries. Although Monte Carlo codes describe the relevant physics in a fully three-dimensional manner, their computational costs have thus far prevented their widespread use for analysis of complex CAD models, leading to the creation and maintenance of toolkit specific simplistic geometry models. The work presented here builds on the Direct Accelerated Geometry Monte Carlo (DAGMC) toolkit developed for use with the Monte Carlo N-Particle (MCNP) transport code. The work-flow for doing radiation transport on CAD models using MCNP and FLUKA has been demonstrated and the results of analyses on realistic spacecraft/habitats will be presented. Future work is planned that will further automate this process and enable the use of multiple radiation transport codes on identical geometry models imported from CAD. This effort will enhance the modeling tools used by NASA to accurately evaluate the astronaut space radiation risk and accurately determine the protection provided by as-designed exploration mission vehicles and habitats.

Million-body star cluster simulations: comparisons between Monte Carlo and direct N-body

NASA Astrophysics Data System (ADS)

Rodriguez, Carl L.; Morscher, Meagan; Wang, Long; Chatterjee, Sourav; Rasio, Frederic A.; Spurzem, Rainer

2016-12-01

We present the first detailed comparison between million-body globular cluster simulations computed with a Hénon-type Monte Carlo code, CMC, and a direct N-body code, NBODY6++GPU. Both simulations start from an identical cluster model with 106 particles, and include all of the relevant physics needed to treat the system in a highly realistic way. With the two codes `frozen' (no fine-tuning of any free parameters or internal algorithms of the codes) we find good agreement in the overall evolution of the two models. Furthermore, we find that in both models, large numbers of stellar-mass black holes (>1000) are retained for 12 Gyr. Thus, the very accurate direct N-body approach confirms recent predictions that black holes can be retained in present-day, old globular clusters. We find only minor disagreements between the two models and attribute these to the small-N dynamics driving the evolution of the cluster core for which the Monte Carlo assumptions are less ideal. Based on the overwhelming general agreement between the two models computed using these vastly different techniques, we conclude that our Monte Carlo approach, which is more approximate, but dramatically faster compared to the direct N-body, is capable of producing an accurate description of the long-term evolution of massive globular clusters even when the clusters contain large populations of stellar-mass black holes.

Investigation of Thermal Stress Convection in Nonisothermal Gases under Microgravity Conditions

NASA Technical Reports Server (NTRS)

Mackowski, Daniel W.

1999-01-01

The project has sought to ascertain the veracity of the Burnett relations, as applied to slow moving, highly nonisothermal gases, by comparison of convection and stress predictions with those generated by the DSMC method. The Burnett equations were found to provide reasonable descriptions of the pressure distribution and normal stress in stationary gases with a 1-D temperature gradient. Continuum/Burnett predictions of thermal stress convection in 2-D heated enclosures, however, are not quantitatively supported by DSMC results. For such situations, it appears that thermal creep flows, generated at the boundaries of the enclosure, will be significantly larger than the flows resulting from thermal stress in the gas.

Numerical Simulations Of High-Altitude Aerothermodynamics Of A Prospective Spacecraft Model

NASA Astrophysics Data System (ADS)

Vashchenkov, P. V.; Kaskovsky, A. V.; Krylov, A. N.; Ivanov, M. S.

2011-05-01

The paper describes the computations of aerothermodynamic characteristics of a promising spacecraft (Prospective Piloted Transport System) along its de- scent trajectory at altitudes from 120 to 60 km. The computations are performed by the DSMC method with the use of the SMILE software system and by the engineering technique (local bridging method) with the use of the RuSat software system. The influence of real gas effects (excitation of rotational and vibrational energy modes and chemical reactions) on aerothermodynamic characteristics of the vehicle is studied. A comparison of results obtained by the approximate engineering method and the DSMC method allow the accuracy of prediction of aerodynamic characteristics by the local bridging method to be estimated.

Monte Carlo simulations for angular and spatial distributions in therapeutic-energy proton beams

NASA Astrophysics Data System (ADS)

Lin, Yi-Chun; Pan, C. Y.; Chiang, K. J.; Yuan, M. C.; Chu, C. H.; Tsai, Y. W.; Teng, P. K.; Lin, C. H.; Chao, T. C.; Lee, C. C.; Tung, C. J.; Chen, A. E.

2017-11-01

The purpose of this study is to compare the angular and spatial distributions of therapeutic-energy proton beams obtained from the FLUKA, GEANT4 and MCNP6 Monte Carlo codes. The Monte Carlo simulations of proton beams passing through two thin targets and a water phantom were investigated to compare the primary and secondary proton fluence distributions and dosimetric differences among these codes. The angular fluence distributions, central axis depth-dose profiles, and lateral distributions of the Bragg peak cross-field were calculated to compare the proton angular and spatial distributions and energy deposition. Benchmark verifications from three different Monte Carlo simulations could be used to evaluate the residual proton fluence for the mean range and to estimate the depth and lateral dose distributions and the characteristic depths and lengths along the central axis as the physical indices corresponding to the evaluation of treatment effectiveness. The results showed a general agreement among codes, except that some deviations were found in the penumbra region. These calculated results are also particularly helpful for understanding primary and secondary proton components for stray radiation calculation and reference proton standard determination, as well as for determining lateral dose distribution performance in proton small-field dosimetry. By demonstrating these calculations, this work could serve as a guide to the recent field of Monte Carlo methods for therapeutic-energy protons.

Rigorous-two-Steps scheme of TRIPOLI-4® Monte Carlo code validation for shutdown dose rate calculation

NASA Astrophysics Data System (ADS)

Jaboulay, Jean-Charles; Brun, Emeric; Hugot, François-Xavier; Huynh, Tan-Dat; Malouch, Fadhel; Mancusi, Davide; Tsilanizara, Aime

2017-09-01

After fission or fusion reactor shutdown the activated structure emits decay photons. For maintenance operations the radiation dose map must be established in the reactor building. Several calculation schemes have been developed to calculate the shutdown dose rate. These schemes are widely developed in fusion application and more precisely for the ITER tokamak. This paper presents the rigorous-two-steps scheme implemented at CEA. It is based on the TRIPOLI-4® Monte Carlo code and the inventory code MENDEL. The ITER shutdown dose rate benchmark has been carried out, results are in a good agreement with the other participant.

Simulation of the Mg(Ar) ionization chamber currents by different Monte Carlo codes in benchmark gamma fields

NASA Astrophysics Data System (ADS)

Lin, Yi-Chun; Liu, Yuan-Hao; Nievaart, Sander; Chen, Yen-Fu; Wu, Shu-Wei; Chou, Wen-Tsae; Jiang, Shiang-Huei

2011-10-01

High energy photon (over 10 MeV) and neutron beams adopted in radiobiology and radiotherapy always produce mixed neutron/gamma-ray fields. The Mg(Ar) ionization chambers are commonly applied to determine the gamma-ray dose because of its neutron insensitive characteristic. Nowadays, many perturbation corrections for accurate dose estimation and lots of treatment planning systems are based on Monte Carlo technique. The Monte Carlo codes EGSnrc, FLUKA, GEANT4, MCNP5, and MCNPX were used to evaluate energy dependent response functions of the Exradin M2 Mg(Ar) ionization chamber to a parallel photon beam with mono-energies from 20 keV to 20 MeV. For the sake of validation, measurements were carefully performed in well-defined (a) primary M-100 X-ray calibration field, (b) primary 60Co calibration beam, (c) 6-MV, and (d) 10-MV therapeutic beams in hospital. At energy region below 100 keV, MCNP5 and MCNPX both had lower responses than other codes. For energies above 1 MeV, the MCNP ITS-mode greatly resembled other three codes and the differences were within 5%. Comparing to the measured currents, MCNP5 and MCNPX using ITS-mode had perfect agreement with the 60Co, and 10-MV beams. But at X-ray energy region, the derivations reached 17%. This work shows us a better insight into the performance of different Monte Carlo codes in photon-electron transport calculation. Regarding the application of the mixed field dosimetry like BNCT, MCNP with ITS-mode is recognized as the most suitable tool by this work.

Validating the performance of correlated fission multiplicity implementation in radiation transport codes with subcritical neutron multiplication benchmark experiments

DOE PAGES

Arthur, Jennifer; Bahran, Rian; Hutchinson, Jesson; ...

2018-06-14

Historically, radiation transport codes have uncorrelated fission emissions. In reality, the particles emitted by both spontaneous and induced fissions are correlated in time, energy, angle, and multiplicity. This work validates the performance of various current Monte Carlo codes that take into account the underlying correlated physics of fission neutrons, specifically neutron multiplicity distributions. The performance of 4 Monte Carlo codes - MCNP®6.2, MCNP®6.2/FREYA, MCNP®6.2/CGMF, and PoliMi - was assessed using neutron multiplicity benchmark experiments. In addition, MCNP®6.2 simulations were run using JEFF-3.2 and JENDL-4.0, rather than ENDF/B-VII.1, data for 239Pu and 240Pu. The sensitive benchmark parameters that in this workmore » represent the performance of each correlated fission multiplicity Monte Carlo code include the singles rate, the doubles rate, leakage multiplication, and Feynman histograms. Although it is difficult to determine which radiation transport code shows the best overall performance in simulating subcritical neutron multiplication inference benchmark measurements, it is clear that correlations exist between the underlying nuclear data utilized by (or generated by) the various codes, and the correlated neutron observables of interest. This could prove useful in nuclear data validation and evaluation applications, in which a particular moment of the neutron multiplicity distribution is of more interest than the other moments. It is also quite clear that, because transport is handled by MCNP®6.2 in 3 of the 4 codes, with the 4th code (PoliMi) being based on an older version of MCNP®, the differences in correlated neutron observables of interest are most likely due to the treatment of fission event generation in each of the different codes, as opposed to the radiation transport.« less

Comparative Dosimetric Estimates of a 25 keV Electron Micro-beam with three Monte Carlo Codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mainardi, Enrico; Donahue, Richard J.; Blakely, Eleanor A.

2002-09-11

The calculations presented compare the different performances of the three Monte Carlo codes PENELOPE-1999, MCNP-4C and PITS, for the evaluation of Dose profiles from a 25 keV electron micro-beam traversing individual cells. The overall model of a cell is a water cylinder equivalent for the three codes but with a different internal scoring geometry: hollow cylinders for PENELOPE and MCNP, whereas spheres are used for the PITS code. A cylindrical cell geometry with scoring volumes with the shape of hollow cylinders was initially selected for PENELOPE and MCNP because of its superior simulation of the actual shape and dimensions ofmore » a cell and for its improved computer-time efficiency if compared to spherical internal volumes. Some of the transfer points and energy transfer that constitute a radiation track may actually fall in the space between spheres, that would be outside the spherical scoring volume. This internal geometry, along with the PENELOPE algorithm, drastically reduced the computer time when using this code if comparing with event-by-event Monte Carlo codes like PITS. This preliminary work has been important to address dosimetric estimates at low electron energies. It demonstrates that codes like PENELOPE can be used for Dose evaluation, even with such small geometries and energies involved, which are far below the normal use for which the code was created. Further work (initiated in Summer 2002) is still needed however, to create a user-code for PENELOPE that allows uniform comparison of exact cell geometries, integral volumes and also microdosimetric scoring quantities, a field where track-structure codes like PITS, written for this purpose, are believed to be superior.« less

Validating the performance of correlated fission multiplicity implementation in radiation transport codes with subcritical neutron multiplication benchmark experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arthur, Jennifer; Bahran, Rian; Hutchinson, Jesson

Historically, radiation transport codes have uncorrelated fission emissions. In reality, the particles emitted by both spontaneous and induced fissions are correlated in time, energy, angle, and multiplicity. This work validates the performance of various current Monte Carlo codes that take into account the underlying correlated physics of fission neutrons, specifically neutron multiplicity distributions. The performance of 4 Monte Carlo codes - MCNP®6.2, MCNP®6.2/FREYA, MCNP®6.2/CGMF, and PoliMi - was assessed using neutron multiplicity benchmark experiments. In addition, MCNP®6.2 simulations were run using JEFF-3.2 and JENDL-4.0, rather than ENDF/B-VII.1, data for 239Pu and 240Pu. The sensitive benchmark parameters that in this workmore » represent the performance of each correlated fission multiplicity Monte Carlo code include the singles rate, the doubles rate, leakage multiplication, and Feynman histograms. Although it is difficult to determine which radiation transport code shows the best overall performance in simulating subcritical neutron multiplication inference benchmark measurements, it is clear that correlations exist between the underlying nuclear data utilized by (or generated by) the various codes, and the correlated neutron observables of interest. This could prove useful in nuclear data validation and evaluation applications, in which a particular moment of the neutron multiplicity distribution is of more interest than the other moments. It is also quite clear that, because transport is handled by MCNP®6.2 in 3 of the 4 codes, with the 4th code (PoliMi) being based on an older version of MCNP®, the differences in correlated neutron observables of interest are most likely due to the treatment of fission event generation in each of the different codes, as opposed to the radiation transport.« less

Analysis of Naval Ammunition Stock Positioning

DTIC Science & Technology

2015-12-01

model takes once the Monte -Carlo simulation determines the assigned probabilities for site-to-site locations. Column two shows how the simulation...stockpiles and positioning them at coastal Navy facilities. A Monte -Carlo simulation model was developed to simulate expected cost and delivery...TERMS supply chain management, Monte -Carlo simulation, risk, delivery performance, stock positioning 15. NUMBER OF PAGES 85 16. PRICE CODE 17

Benchmarking and validation of a Geant4-SHADOW Monte Carlo simulation for dose calculations in microbeam radiation therapy.

PubMed

Cornelius, Iwan; Guatelli, Susanna; Fournier, Pauline; Crosbie, Jeffrey C; Sanchez Del Rio, Manuel; Bräuer-Krisch, Elke; Rosenfeld, Anatoly; Lerch, Michael

2014-05-01

Microbeam radiation therapy (MRT) is a synchrotron-based radiotherapy modality that uses high-intensity beams of spatially fractionated radiation to treat tumours. The rapid evolution of MRT towards clinical trials demands accurate treatment planning systems (TPS), as well as independent tools for the verification of TPS calculated dose distributions in order to ensure patient safety and treatment efficacy. Monte Carlo computer simulation represents the most accurate method of dose calculation in patient geometries and is best suited for the purpose of TPS verification. A Monte Carlo model of the ID17 biomedical beamline at the European Synchrotron Radiation Facility has been developed, including recent modifications, using the Geant4 Monte Carlo toolkit interfaced with the SHADOW X-ray optics and ray-tracing libraries. The code was benchmarked by simulating dose profiles in water-equivalent phantoms subject to irradiation by broad-beam (without spatial fractionation) and microbeam (with spatial fractionation) fields, and comparing against those calculated with a previous model of the beamline developed using the PENELOPE code. Validation against additional experimental dose profiles in water-equivalent phantoms subject to broad-beam irradiation was also performed. Good agreement between codes was observed, with the exception of out-of-field doses and toward the field edge for larger field sizes. Microbeam results showed good agreement between both codes and experimental results within uncertainties. Results of the experimental validation showed agreement for different beamline configurations. The asymmetry in the out-of-field dose profiles due to polarization effects was also investigated, yielding important information for the treatment planning process in MRT. This work represents an important step in the development of a Monte Carlo-based independent verification tool for treatment planning in MRT.

Application of the A.C. Admittance Technique to Double Layer Studies on Polycrystalline Gold Electrodes

DTIC Science & Technology

1992-02-24

AVAiLABILITY STATEMENT 12b. DISTRIBUTION CODE Unclassified 1 . %Bsr’RACT , 3’ um . Crl) A detailed examination of the dependence of the a.c. admittance...NUMBER OF PAGES double layer at gold/solution interface, a.c. admittance techniques, constant phase element model 1 . PRCE CODE 17. SECURITY...Chemistry University of California Davis, CA 95616 U.S.A. tOn leave from the Instituto de Fisica e Quimica de Sao Carlos, USP, Sao Carlos, SP 13560

General Monte Carlo reliability simulation code including common mode failures and HARP fault/error-handling

NASA Technical Reports Server (NTRS)

Platt, M. E.; Lewis, E. E.; Boehm, F.

1991-01-01

A Monte Carlo Fortran computer program was developed that uses two variance reduction techniques for computing system reliability applicable to solving very large highly reliable fault-tolerant systems. The program is consistent with the hybrid automated reliability predictor (HARP) code which employs behavioral decomposition and complex fault-error handling models. This new capability is called MC-HARP which efficiently solves reliability models with non-constant failures rates (Weibull). Common mode failure modeling is also a specialty.

The Serpent Monte Carlo Code: Status, Development and Applications in 2013

NASA Astrophysics Data System (ADS)

Leppänen, Jaakko; Pusa, Maria; Viitanen, Tuomas; Valtavirta, Ville; Kaltiaisenaho, Toni

2014-06-01

The Serpent Monte Carlo reactor physics burnup calculation code has been developed at VTT Technical Research Centre of Finland since 2004, and is currently used in 100 universities and research organizations around the world. This paper presents the brief history of the project, together with the currently available methods and capabilities and plans for future work. Typical user applications are introduced in the form of a summary review on Serpent-related publications over the past few years.

Physical models, cross sections, and numerical approximations used in MCNP and GEANT4 Monte Carlo codes for photon and electron absorbed fraction calculation.

PubMed

Yoriyaz, Hélio; Moralles, Maurício; Siqueira, Paulo de Tarso Dalledone; Guimarães, Carla da Costa; Cintra, Felipe Belonsi; dos Santos, Adimir

2009-11-01

Radiopharmaceutical applications in nuclear medicine require a detailed dosimetry estimate of the radiation energy delivered to the human tissues. Over the past years, several publications addressed the problem of internal dose estimate in volumes of several sizes considering photon and electron sources. Most of them used Monte Carlo radiation transport codes. Despite the widespread use of these codes due to the variety of resources and potentials they offered to carry out dose calculations, several aspects like physical models, cross sections, and numerical approximations used in the simulations still remain an object of study. Accurate dose estimate depends on the correct selection of a set of simulation options that should be carefully chosen. This article presents an analysis of several simulation options provided by two of the most used codes worldwide: MCNP and GEANT4. For this purpose, comparisons of absorbed fraction estimates obtained with different physical models, cross sections, and numerical approximations are presented for spheres of several sizes and composed as five different biological tissues. Considerable discrepancies have been found in some cases not only between the different codes but also between different cross sections and algorithms in the same code. Maximum differences found between the two codes are 5.0% and 10%, respectively, for photons and electrons. Even for simple problems as spheres and uniform radiation sources, the set of parameters chosen by any Monte Carlo code significantly affects the final results of a simulation, demonstrating the importance of the correct choice of parameters in the simulation.

Comment on ‘egs_brachy: a versatile and fast Monte Carlo code for brachytherapy’

NASA Astrophysics Data System (ADS)

Yegin, Gultekin

2018-02-01

In a recent paper (Chamberland et al 2016 Phys. Med. Biol. 61 8214) develop a new Monte Carlo code called egs_brachy for brachytherapy treatments. It is based on EGSnrc, and written in the C++ programming language. In order to benchmark the egs_brachy code, the authors use it in various test case scenarios in which complex geometry conditions exist. Another EGSnrc based brachytherapy dose calculation engine, BrachyDose, is used for dose comparisons. The authors fail to prove that egs_brachy can produce reasonable dose values for brachytherapy sources in a given medium. The dose comparisons in the paper are erroneous and misleading. egs_brachy should not be used in any further research studies unless and until all the potential bugs are fixed in the code.

Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin I.

2016-01-01

This report provides an overview of the Parallel Grand Canonical Monte Carlo (ParaGrandMC) simulation code. This is a highly scalable parallel FORTRAN code for simulating the thermodynamic evolution of metal alloy systems at the atomic level, and predicting the thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hiller, Mauritius M.; Veinot, Kenneth G.; Easterly, Clay E.

In this study, methods are addressed to reduce the computational time to compute organ-dose rate coefficients using Monte Carlo techniques. Several variance reduction techniques are compared including the reciprocity method, importance sampling, weight windows and the use of the ADVANTG software package. For low-energy photons, the runtime was reduced by a factor of 10 5 when using the reciprocity method for kerma computation for immersion of a phantom in contaminated water. This is particularly significant since impractically long simulation times are required to achieve reasonable statistical uncertainties in organ dose for low-energy photons in this source medium and geometry. Althoughmore » the MCNP Monte Carlo code is used in this paper, the reciprocity technique can be used equally well with other Monte Carlo codes.« less

The Monte Carlo code MCPTV--Monte Carlo dose calculation in radiation therapy with carbon ions.

PubMed

Karg, Juergen; Speer, Stefan; Schmidt, Manfred; Mueller, Reinhold

2010-07-07

The Monte Carlo code MCPTV is presented. MCPTV is designed for dose calculation in treatment planning in radiation therapy with particles and especially carbon ions. MCPTV has a voxel-based concept and can perform a fast calculation of the dose distribution on patient CT data. Material and density information from CT are taken into account. Electromagnetic and nuclear interactions are implemented. Furthermore the algorithm gives information about the particle spectra and the energy deposition in each voxel. This can be used to calculate the relative biological effectiveness (RBE) for each voxel. Depth dose distributions are compared to experimental data giving good agreement. A clinical example is shown to demonstrate the capabilities of the MCPTV dose calculation.

Monte Carlo modelling the dosimetric effects of electrode material on diamond detectors.

PubMed

Baluti, Florentina; Deloar, Hossain M; Lansley, Stuart P; Meyer, Juergen

2015-03-01

Diamond detectors for radiation dosimetry were modelled using the EGSnrc Monte Carlo code to investigate the influence of electrode material and detector orientation on the absorbed dose. The small dimensions of the electrode/diamond/electrode detector structure required very thin voxels and the use of non-standard DOSXYZnrc Monte Carlo model parameters. The interface phenomena was investigated by simulating a 6 MV beam and detectors with different electrode materials, namely Al, Ag, Cu and Au, with thickens of 0.1 µm for the electrodes and 0.1 mm for the diamond, in both perpendicular and parallel detector orientation with regards to the incident beam. The smallest perturbations were observed for the parallel detector orientation and Al electrodes (Z = 13). In summary, EGSnrc Monte Carlo code is well suited for modelling small detector geometries. The Monte Carlo model developed is a useful tool to investigate the dosimetric effects caused by different electrode materials. To minimise perturbations cause by the detector electrodes, it is recommended that the electrodes should be made from a low-atomic number material and placed parallel to the beam direction.

Parallel Monte Carlo transport modeling in the context of a time-dependent, three-dimensional multi-physics code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Procassini, R.J.

1997-12-31

The fine-scale, multi-space resolution that is envisioned for accurate simulations of complex weapons systems in three spatial dimensions implies flop-rate and memory-storage requirements that will only be obtained in the near future through the use of parallel computational techniques. Since the Monte Carlo transport models in these simulations usually stress both of these computational resources, they are prime candidates for parallelization. The MONACO Monte Carlo transport package, which is currently under development at LLNL, will utilize two types of parallelism within the context of a multi-physics design code: decomposition of the spatial domain across processors (spatial parallelism) and distribution ofmore » particles in a given spatial subdomain across additional processors (particle parallelism). This implementation of the package will utilize explicit data communication between domains (message passing). Such a parallel implementation of a Monte Carlo transport model will result in non-deterministic communication patterns. The communication of particles between subdomains during a Monte Carlo time step may require a significant level of effort to achieve a high parallel efficiency.« less

Light transport feature for SCINFUL.

PubMed

Etaati, G R; Ghal-Eh, N

2008-03-01

An extended version of the scintillator response function prediction code SCINFUL has been developed by incorporating PHOTRACK, a Monte Carlo light transport code. Comparisons of calculated and experimental results for organic scintillators exposed to neutrons show that the extended code improves the predictive capability of SCINFUL.

SPAMCART: a code for smoothed particle Monte Carlo radiative transfer

NASA Astrophysics Data System (ADS)

Lomax, O.; Whitworth, A. P.

2016-10-01

We present a code for generating synthetic spectral energy distributions and intensity maps from smoothed particle hydrodynamics simulation snapshots. The code is based on the Lucy Monte Carlo radiative transfer method, I.e. it follows discrete luminosity packets as they propagate through a density field, and then uses their trajectories to compute the radiative equilibrium temperature of the ambient dust. The sources can be extended and/or embedded, and discrete and/or diffuse. The density is not mapped on to a grid, and therefore the calculation is performed at exactly the same resolution as the hydrodynamics. We present two example calculations using this method. First, we demonstrate that the code strictly adheres to Kirchhoff's law of radiation. Secondly, we present synthetic intensity maps and spectra of an embedded protostellar multiple system. The algorithm uses data structures that are already constructed for other purposes in modern particle codes. It is therefore relatively simple to implement.

The specific purpose Monte Carlo code McENL for simulating the response of epithermal neutron lifetime well logging tools

NASA Astrophysics Data System (ADS)

Prettyman, T. H.; Gardner, R. P.; Verghese, K.

1993-08-01

A new specific purpose Monte Carlo code called McENL for modeling the time response of epithermal neutron lifetime tools is described. The weight windows technique, employing splitting and Russian roulette, is used with an automated importance function based on the solution of an adjoint diffusion model to improve the code efficiency. Complete composition and density correlated sampling is also included in the code, and can be used to study the effect on tool response of small variations in the formation, borehole, or logging tool composition and density. An illustration of the latter application is given for the density of a thermal neutron filter. McENL was benchmarked against test-pit data for the Mobil pulsed neutron porosity tool and was found to be very accurate. Results of the experimental validation and details of code performance are presented.

Monte Carlo Particle Lists: MCPL

NASA Astrophysics Data System (ADS)

Kittelmann, T.; Klinkby, E.; Knudsen, E. B.; Willendrup, P.; Cai, X. X.; Kanaki, K.

2017-09-01

A binary format with lists of particle state information, for interchanging particles between various Monte Carlo simulation applications, is presented. Portable C code for file manipulation is made available to the scientific community, along with converters and plugins for several popular simulation packages.

Cellular dosimetry calculations for Strontium-90 using Monte Carlo code PENELOPE.

PubMed

Hocine, Nora; Farlay, Delphine; Boivin, Georges; Franck, Didier; Agarande, Michelle

2014-11-01

To improve risk assessments associated with chronic exposure to Strontium-90 (Sr-90), for both the environment and human health, it is necessary to know the energy distribution in specific cells or tissue. Monte Carlo (MC) simulation codes are extremely useful tools for calculating deposition energy. The present work was focused on the validation of the MC code PENetration and Energy LOss of Positrons and Electrons (PENELOPE) and the assessment of dose distribution to bone marrow cells from punctual Sr-90 source localized within the cortical bone part. S-values (absorbed dose per unit cumulated activity) calculations using Monte Carlo simulations were performed by using PENELOPE and Monte Carlo N-Particle eXtended (MCNPX). Cytoplasm, nucleus, cell surface, mouse femur bone and Sr-90 radiation source were simulated. Cells are assumed to be spherical with the radii of the cell and cell nucleus ranging from 2-10 μm. The Sr-90 source is assumed to be uniformly distributed in cell nucleus, cytoplasm and cell surface. The comparison of S-values calculated with PENELOPE to MCNPX results and the Medical Internal Radiation Dose (MIRD) values agreed very well since the relative deviations were less than 4.5%. The dose distribution to mouse bone marrow cells showed that the cells localized near the cortical part received the maximum dose. The MC code PENELOPE may prove useful for cellular dosimetry involving radiation transport through materials other than water, or for complex distributions of radionuclides and geometries.

Comparison of Space Radiation Calculations from Deterministic and Monte Carlo Transport Codes

NASA Technical Reports Server (NTRS)

Adams, J. H.; Lin, Z. W.; Nasser, A. F.; Randeniya, S.; Tripathi, r. K.; Watts, J. W.; Yepes, P.

2010-01-01

The presentation outline includes motivation, radiation transport codes being considered, space radiation cases being considered, results for slab geometry, results from spherical geometry, and summary. ///////// main physics in radiation transport codes hzetrn uprop fluka geant4, slab geometry, spe, gcr,

An update on the BQCD Hybrid Monte Carlo program

NASA Astrophysics Data System (ADS)

Haar, Taylor Ryan; Nakamura, Yoshifumi; Stüben, Hinnerk

2018-03-01

We present an update of BQCD, our Hybrid Monte Carlo program for simulating lattice QCD. BQCD is one of the main production codes of the QCDSF collaboration and is used by CSSM and in some Japanese finite temperature and finite density projects. Since the first publication of the code at Lattice 2010 the program has been extended in various ways. New features of the code include: dynamical QED, action modification in order to compute matrix elements by using Feynman-Hellman theory, more trace measurements (like Tr(D-n) for K, cSW and chemical potential reweighting), a more flexible integration scheme, polynomial filtering, term-splitting for RHMC, and a portable implementation of performance critical parts employing SIMD.

A method for radiological characterization based on fluence conversion coefficients

NASA Astrophysics Data System (ADS)

Froeschl, Robert

2018-06-01

Radiological characterization of components in accelerator environments is often required to ensure adequate radiation protection during maintenance, transport and handling as well as for the selection of the proper disposal pathway. The relevant quantities are typical the weighted sums of specific activities with radionuclide-specific weighting coefficients. Traditional methods based on Monte Carlo simulations are radionuclide creation-event based or the particle fluences in the regions of interest are scored and then off-line weighted with radionuclide production cross sections. The presented method bases the radiological characterization on a set of fluence conversion coefficients. For a given irradiation profile and cool-down time, radionuclide production cross-sections, material composition and radionuclide-specific weighting coefficients, a set of particle type and energy dependent fluence conversion coefficients is computed. These fluence conversion coefficients can then be used in a Monte Carlo transport code to perform on-line weighting to directly obtain the desired radiological characterization, either by using built-in multiplier features such as in the PHITS code or by writing a dedicated user routine such as for the FLUKA code. The presented method has been validated against the standard event-based methods directly available in Monte Carlo transport codes.

Monte Carlo simulation of β γ coincidence system using plastic scintillators in 4π geometry

NASA Astrophysics Data System (ADS)

Dias, M. S.; Piuvezam-Filho, H.; Baccarelli, A. M.; Takeda, M. N.; Koskinas, M. F.

2007-09-01

A modified version of a Monte Carlo code called Esquema, developed at the Nuclear Metrology Laboratory in IPEN, São Paulo, Brazil, has been applied for simulating a 4 πβ(PS)-γ coincidence system designed for primary radionuclide standardisation. This system consists of a plastic scintillator in 4 π geometry, for alpha or electron detection, coupled to a NaI(Tl) counter for gamma-ray detection. The response curves for monoenergetic electrons and photons have been calculated previously by Penelope code and applied as input data to code Esquema. The latter code simulates all the disintegration processes, from the precursor nucleus to the ground state of the daughter radionuclide. As a result, the curve between the observed disintegration rate as a function of the beta efficiency parameter can be simulated. A least-squares fit between the experimental activity values and the Monte Carlo calculation provided the actual radioactive source activity, without need of conventional extrapolation procedures. Application of this methodology to 60Co and 133Ba radioactive sources is presented and showed results in good agreement with a conventional proportional counter 4 πβ(PC)-γ coincidence system.

Extension of a hybrid particle-continuum method for a mixture of chemical species

NASA Astrophysics Data System (ADS)

Verhoff, Ashley M.; Boyd, Iain D.

2012-11-01

Due to the physical accuracy and numerical efficiency achieved by analyzing transitional, hypersonic flow fields with hybrid particle-continuum methods, this paper describes a Modular Particle-Continuum (MPC) method and its extension to include multiple chemical species. Considerations that are specific to a hybrid approach for simulating gas mixtures are addressed, including a discussion of the Chapman-Enskog velocity distribution function (VDF) for near-equilibrium flows, and consistent viscosity models for the individual CFD and DSMC modules of the MPC method. Representative results for a hypersonic blunt-body flow are then presented, where the flow field properties, surface properties, and computational performance are compared for simulations employing full CFD, full DSMC, and the MPC method.

Poly-Gaussian model of randomly rough surface in rarefied gas flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aksenova, Olga A.; Khalidov, Iskander A.

2014-12-09

Surface roughness is simulated by the model of non-Gaussian random process. Our results for the scattering of rarefied gas atoms from a rough surface using modified approach to the DSMC calculation of rarefied gas flow near a rough surface are developed and generalized applying the poly-Gaussian model representing probability density as the mixture of Gaussian densities. The transformation of the scattering function due to the roughness is characterized by the roughness operator. Simulating rough surface of the walls by the poly-Gaussian random field expressed as integrated Wiener process, we derive a representation of the roughness operator that can be appliedmore » in numerical DSMC methods as well as in analytical investigations.« less

Computational analysis of fluid dynamics in pharmaceutical freeze-drying.

PubMed

Alexeenko, Alina A; Ganguly, Arnab; Nail, Steven L

2009-09-01

Analysis of water vapor flows encountered in pharmaceutical freeze-drying systems, laboratory-scale and industrial, is presented based on the computational fluid dynamics (CFD) techniques. The flows under continuum gas conditions are analyzed using the solution of the Navier-Stokes equations whereas the rarefied flow solutions are obtained by the direct simulation Monte Carlo (DSMC) method for the Boltzmann equation. Examples of application of CFD techniques to laboratory-scale and industrial scale freeze-drying processes are discussed with an emphasis on the utility of CFD for improvement of design and experimental characterization of pharmaceutical freeze-drying hardware and processes. The current article presents a two-dimensional simulation of a laboratory scale dryer with an emphasis on the importance of drying conditions and hardware design on process control and a three-dimensional simulation of an industrial dryer containing a comparison of the obtained results with analytical viscous flow solutions. It was found that the presence of clean in place (CIP)/sterilize in place (SIP) piping in the duct lead to significant changes in the flow field characteristics. The simulation results for vapor flow rates in an industrial freeze-dryer have been compared to tunable diode laser absorption spectroscopy (TDLAS) and gravimetric measurements.

On the Validity of Continuum Computational Fluid Dynamics Approach Under Very Low-Pressure Plasma Spray Conditions

NASA Astrophysics Data System (ADS)

Ivchenko, Dmitrii; Zhang, Tao; Mariaux, Gilles; Vardelle, Armelle; Goutier, Simon; Itina, Tatiana E.

2018-01-01

Plasma spray physical vapor deposition aims to substantially evaporate powders in order to produce coatings with various microstructures. This is achieved by powder vapor condensation onto the substrate and/or by deposition of fine melted powder particles and nanoclusters. The deposition process typically operates at pressures ranging between 10 and 200 Pa. In addition to the experimental works, numerical simulations are performed to better understand the process and optimize the experimental conditions. However, the combination of high temperatures and low pressure with shock waves initiated by supersonic expansion of the hot gas in the low-pressure medium makes doubtful the applicability of the continuum approach for the simulation of such a process. This work investigates (1) effects of the pressure dependence of thermodynamic and transport properties on computational fluid dynamics (CFD) predictions and (2) the validity of the continuum approach for thermal plasma flow simulation under very low-pressure conditions. The study compares the flow fields predicted with a continuum approach using CFD software with those obtained by a kinetic-based approach using a direct simulation Monte Carlo method (DSMC). It also shows how the presence of high gradients can contribute to prediction errors for typical PS-PVD conditions.

Knudsen paradox in granular gases and the roles of thermal and athermal walls

NASA Astrophysics Data System (ADS)

Gupta, Ronak; Alam, Meheboob

2017-11-01

The well-known `Knudsen-paradox' (which refers to the decrease of the mass-flow rate of a gas with increasing Knudsen number Kn , reaching a minimum at Kn O(1) and increasing logarithmically with Kn as Kn -> ∞) is revisited using direct simulation Monte Carlo (DSMC) method. It is shown that the `Knudsen-paradox' survives in the acceleration-driven Poiseuille flow of a granular gas in contact with thermal-walls. This result is in contradiction with recent molecular dynamics simulations (Alam et al., J. Fluid Mech., vol. 782, 2015, pp. 99-126) that revealed the absence of the Knudsen-minimum in granular Poiseuille flow. The above conundrum is resolved by distinguishing between `thermal' and `athermal' walls, and it is shown that, for both molecular and granular gases, the momentum-transfer to athermal-walls is much lower than that to thermal-walls which is directly responsible for the ``anomalous'' flow-rate-variation with Kn . In the continuum limit of Kn -> 0 , the athermal walls are found to be closely related to `non-flux/adiabatic' walls. The underlying mechanistic arguments lead to Maxwell's slip-boundary condition and a possible characterization of athermal walls in terms of an effective specularity coefficient is discussed.

Effect of Knudsen thermal force on the performance of low-pressure micro gas sensor

NASA Astrophysics Data System (ADS)

Barzegar Gerdroodbary, M.; Ganji, D. D.; Taeibi-Rahni, M.; Vakilipour, Shidvash

2017-07-01

In this paper, Direct Simulation Monte Carlo (DSMC) simulations were applied to investigate the mechanism of the force generation inside a low-pressure gas sensor. The flow feature and force generation mechanism inside a rectangular enclosure with heat and cold arms as the non-isothermal walls are comprehensively explained. In addition, extensive parametric studies are done to study the effects of physical parameters on the performance and characteristics of this device in different operating conditions. In this research, the Knudsen number is varied from 0.1 to 4.5 (0.5 to 11torr) to reveal all the characteristics of the thermally driven force inside the MEMS sensor. In order to simulate a rarefied gas inside the micro gas detector, Boltzmann equations are applied to obtain high-precision results. The effects of ambient pressure and temperature difference of arms are comprehensively investigated. Our findings show that maximum force increases more than 7 times when the temperature difference of the cold and hot arms is increased from 10 to 100K. In addition, the results demonstrate that the thermal gradient at rarefied pressure induces complex structure, and the mechanism of force generation highly varies at different pressure conditions.

Rotational and vibrational nonequilibrium effects in rarefied, hypersonic flow

NASA Technical Reports Server (NTRS)

Boyd, Iain D.

1989-01-01

Results are reported for an investigation into the methods by which energy transfer is calculated in the Direct Simulation Monte Carlo method. Description is made of a recently developed energy exchange model that deals with the translational and rotational modes. A new model for simulating the transfer of energy between the translational and vibrational modes is also explained. This model allows the vibrational relaxation time to follow the temperature dependence predicted by the Landau-Teller theory at moderate temperatures. For temperatures in excess of about 8000K the vibrational model is extended to include an empirical result for the relaxation time. The effect of introducing these temperature dependent collision numbers into the DSMC technique is assessed by making calculations representative of the stagnation streamline of a hypersonic space vehicle. Both thermal and chemical nonequilibrium effects are included while the flow conditions have been chosen such that ionization and radiation may be neglected. The introduction of these new models is found to significantly affect the degree of thermal nonequilibrium observed in the flowfield. Larger, and more widely ranging, differences in the results obtained with the different energy exchange probabilities are found when a significant amount of internal energy is included in the calculation of chemical nonequilibrium.

Prediction of rarefied micro-nozzle flows using the SPARTA library

NASA Astrophysics Data System (ADS)

Deschenes, Timothy R.; Grot, Jonathan

2016-11-01

The accurate numerical prediction of gas flows within micro-nozzles can help evaluate the performance and enable the design of optimal configurations for micro-propulsion systems. Viscous effects within the large boundary layers can have a strong impact on the nozzle performance. Furthermore, the variation in collision length scales from continuum to rarefied preclude the use of continuum-based computational fluid dynamics. In this paper, we describe the application of a massively parallel direct simulation Monte Carlo (DSMC) library to predict the steady-state and transient flow through a micro-nozzle. The nozzle's geometric configuration is described in a highly flexible manner to allow for the modification of the geometry in a systematic fashion. The transient simulation highlights a strong shock structure that forms within the converging portion of the nozzle when the expanded gas interacts with the nozzle walls. This structure has a strong impact on the buildup of the gas in the nozzle and affects the boundary layer thickness beyond the throat in the diverging section of the nozzle. Future work will look to examine the transient thrust and integrate this simulation capability into a web-based rarefied gas dynamics prediction software, which is currently under development.

Rarefied-continuum gas dynamics transition for SUMS project

NASA Technical Reports Server (NTRS)

Cheng, Sin-I

1989-01-01

This program is to develop an analytic method for reducing SUMS data for the determination of the undisturbed atmosphere conditions ahead of the shuttle along its descending trajectory. It is divided into an internal flow problem, an external flow problem and their matching conditions. Since the existing method of Direct Simulation Monte Carlo (DSMC) failed completely for the internal flow problem, the emphasis is on the internal flow of a highly non-equilibrium, rarefied air through a short tube of a diameter much less than the gaseous mean free path. A two fluid model analysis of this internal flow problem has been developed and studied with typical results illustrated. A computer program for such an analysis and a technical paper published in Lecture Notes in Physics No. 323 (1989) are included as Appendices 3 and 4. A proposal for in situ determination of the surface accommodation coefficients sigma sub t and sigma e is included in Appendix 5 because of their importance in quantitative data reduction. A two fluid formulation for the external flow problem is included as Appendix 6 and a review article for AIAA on Hypersonic propulsion, much dependent on ambient atmospheric density, is also included as Appendix 7.

Radiation transport in kinetic simulations and the influence of photoemission on electron current in self-sustaining discharges

DOE PAGES

Fierro, Andrew S.; Moore, Christopher Hudson; Scheiner, Brett; ...

2017-01-12

A kinetic description for electronic excitation of helium for principal quantum number nmore » $$\\leqslant $$ 4 has been included into a particle-in-cell (PIC) simulation utilizing direct simulation Monte Carlo (DSMC) for electron-neutral interactions. The excited electronic levels radiate state-dependent photons with wavelengths from the extreme ultraviolet (EUV) to visible regimes. Photon wavelengths are chosen according to a Voigt distribution accounting for the natural, pressure, and Doppler broadened linewidths. This method allows for reconstruction of the emission spectrum for a non-thermalized electron energy distribution function (EEDF) and investigation of high energy photon effects on surfaces, specifically photoemission. A parallel plate discharge with a fixed field (i.e. space charge neglected) is used to investigate the effects of including photoemission for a Townsend discharge. When operating at a voltage near the self-sustaining discharge threshold, it is observed that the electron current into the anode is higher when including photoemission from the cathode than without even when accounting for self-absorption from ground state atoms. As a result, the photocurrent has been observed to account for as much as 20% of the total current from the cathode under steady-state conditions.« less

Path Toward a Unifid Geometry for Radiation Transport

NASA Technical Reports Server (NTRS)

Lee, Kerry; Barzilla, Janet; Davis, Andrew; Zachmann

2014-01-01

The Direct Accelerated Geometry for Radiation Analysis and Design (DAGRAD) element of the RadWorks Project under Advanced Exploration Systems (AES) within the Space Technology Mission Directorate (STMD) of NASA will enable new designs and concepts of operation for radiation risk assessment, mitigation and protection. This element is designed to produce a solution that will allow NASA to calculate the transport of space radiation through complex computer-aided design (CAD) models using the state-of-the-art analytic and Monte Carlo radiation transport codes. Due to the inherent hazard of astronaut and spacecraft exposure to ionizing radiation in low-Earth orbit (LEO) or in deep space, risk analyses must be performed for all crew vehicles and habitats. Incorporating these analyses into the design process can minimize the mass needed solely for radiation protection. Transport of the radiation fields as they pass through shielding and body materials can be simulated using Monte Carlo techniques or described by the Boltzmann equation, which is obtained by balancing changes in particle fluxes as they traverse a small volume of material with the gains and losses caused by atomic and nuclear collisions. Deterministic codes that solve the Boltzmann transport equation, such as HZETRN [high charge and energy transport code developed by NASA Langley Research Center (LaRC)], are generally computationally faster than Monte Carlo codes such as FLUKA, GEANT4, MCNP(X) or PHITS; however, they are currently limited to transport in one dimension, which poorly represents the secondary light ion and neutron radiation fields. NASA currently uses HZETRN space radiation transport software, both because it is computationally efficient and because proven methods have been developed for using this software to analyze complex geometries. Although Monte Carlo codes describe the relevant physics in a fully three-dimensional manner, their computational costs have thus far prevented their widespread use for analysis of complex CAD models, leading to the creation and maintenance of toolkit-specific simplistic geometry models. The work presented here builds on the Direct Accelerated Geometry Monte Carlo (DAGMC) toolkit developed for use with the Monte Carlo N-Particle (MCNP) transport code. The workflow for achieving radiation transport on CAD models using MCNP and FLUKA has been demonstrated and the results of analyses on realistic spacecraft/habitats will be presented. Future work is planned that will further automate this process and enable the use of multiple radiation transport codes on identical geometry models imported from CAD. This effort will enhance the modeling tools used by NASA to accurately evaluate the astronaut space radiation risk and accurately determine the protection provided by as-designed exploration mission vehicles and habitats

Stopping power and dose calculations with analytical and Monte Carlo methods for protons and prompt gamma range verification

NASA Astrophysics Data System (ADS)

Usta, Metin; Tufan, Mustafa Çağatay; Aydın, Güral; Bozkurt, Ahmet

2018-07-01

In this study, we have performed the calculations stopping power, depth dose, and range verification for proton beams using dielectric and Bethe-Bloch theories and FLUKA, Geant4 and MCNPX Monte Carlo codes. In the framework, as analytical studies, Drude model was applied for dielectric theory and effective charge approach with Roothaan-Hartree-Fock charge densities was used in Bethe theory. In the simulations different setup parameters were selected to evaluate the performance of three distinct Monte Carlo codes. The lung and breast tissues were investigated are considered to be related to the most common types of cancer throughout the world. The results were compared with each other and the available data in literature. In addition, the obtained results were verified with prompt gamma range data. In both stopping power values and depth-dose distributions, it was found that the Monte Carlo values give better results compared with the analytical ones while the results that agree best with ICRU data in terms of stopping power are those of the effective charge approach between the analytical methods and of the FLUKA code among the MC packages. In the depth dose distributions of the examined tissues, although the Bragg curves for Monte Carlo almost overlap, the analytical ones show significant deviations that become more pronounce with increasing energy. Verifications with the results of prompt gamma photons were attempted for 100-200 MeV protons which are regarded important for proton therapy. The analytical results are within 2%-5% and the Monte Carlo values are within 0%-2% as compared with those of the prompt gammas.

Benchmarking PARTISN with Analog Monte Carlo: Moments of the Neutron Number and the Cumulative Fission Number Probability Distributions

DOE Office of Scientific and Technical Information (OSTI.GOV)

O'Rourke, Patrick Francis

The purpose of this report is to provide the reader with an understanding of how a Monte Carlo neutron transport code was written, developed, and evolved to calculate the probability distribution functions (PDFs) and their moments for the neutron number at a final time as well as the cumulative fission number, along with introducing several basic Monte Carlo concepts.

Optimization of beam shaping assembly based on D-T neutron generator and dose evaluation for BNCT

NASA Astrophysics Data System (ADS)

Naeem, Hamza; Chen, Chaobin; Zheng, Huaqing; Song, Jing

2017-04-01

The feasibility of developing an epithermal neutron beam for a boron neutron capture therapy (BNCT) facility based on a high intensity D-T fusion neutron generator (HINEG) and using the Monte Carlo code SuperMC (Super Monte Carlo simulation program for nuclear and radiation process) is proposed in this study. The Monte Carlo code SuperMC is used to determine and optimize the final configuration of the beam shaping assembly (BSA). The optimal BSA design in a cylindrical geometry which consists of a natural uranium sphere (14 cm) as a neutron multiplier, AlF3 and TiF3 as moderators (20 cm each), Cd (1 mm) as a thermal neutron filter, Bi (5 cm) as a gamma shield, and Pb as a reflector and collimator to guide neutrons towards the exit window. The epithermal neutron beam flux of the proposed model is 5.73 × 109 n/cm2s, and other dosimetric parameters for the BNCT reported by IAEA-TECDOC-1223 have been verified. The phantom dose analysis shows that the designed BSA is accurate, efficient and suitable for BNCT applications. Thus, the Monte Carlo code SuperMC is concluded to be capable of simulating the BSA and the dose calculation for BNCT, and high epithermal flux can be achieved using proposed BSA.

Benchmarking study of the MCNP code against cold critical experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sitaraman, S.

1991-01-01

The purpose of this study was to benchmark the widely used Monte Carlo code MCNP against a set of cold critical experiments with a view to using the code as a means of independently verifying the performance of faster but less accurate Monte Carlo and deterministic codes. The experiments simulated consisted of both fast and thermal criticals as well as fuel in a variety of chemical forms. A standard set of benchmark cold critical experiments was modeled. These included the two fast experiments, GODIVA and JEZEBEL, the TRX metallic uranium thermal experiments, the Babcock and Wilcox oxide and mixed oxidemore » experiments, and the Oak Ridge National Laboratory (ORNL) and Pacific Northwest Laboratory (PNL) nitrate solution experiments. The principal case studied was a small critical experiment that was performed with boiling water reactor bundles.« less

CMacIonize: Monte Carlo photoionisation and moving-mesh radiation hydrodynamics

NASA Astrophysics Data System (ADS)

Vandenbroucke, Bert; Wood, Kenneth

2018-02-01

CMacIonize simulates the self-consistent evolution of HII regions surrounding young O and B stars, or other sources of ionizing radiation. The code combines a Monte Carlo photoionization algorithm that uses a complex mix of hydrogen, helium and several coolants in order to self-consistently solve for the ionization and temperature balance at any given time, with a standard first order hydrodynamics scheme. The code can be run as a post-processing tool to get the line emission from an existing simulation snapshot, but can also be used to run full radiation hydrodynamical simulations. Both the radiation transfer and the hydrodynamics are implemented in a general way that is independent of the grid structure that is used to discretize the system, allowing it to be run both as a standard fixed grid code and also as a moving-mesh code.

Comparison of Geant4-DNA simulation of S-values with other Monte Carlo codes

NASA Astrophysics Data System (ADS)

André, T.; Morini, F.; Karamitros, M.; Delorme, R.; Le Loirec, C.; Campos, L.; Champion, C.; Groetz, J.-E.; Fromm, M.; Bordage, M.-C.; Perrot, Y.; Barberet, Ph.; Bernal, M. A.; Brown, J. M. C.; Deleuze, M. S.; Francis, Z.; Ivanchenko, V.; Mascialino, B.; Zacharatou, C.; Bardiès, M.; Incerti, S.

2014-01-01

Monte Carlo simulations of S-values have been carried out with the Geant4-DNA extension of the Geant4 toolkit. The S-values have been simulated for monoenergetic electrons with energies ranging from 0.1 keV up to 20 keV, in liquid water spheres (for four radii, chosen between 10 nm and 1 μm), and for electrons emitted by five isotopes of iodine (131, 132, 133, 134 and 135), in liquid water spheres of varying radius (from 15 μm up to 250 μm). The results have been compared to those obtained from other Monte Carlo codes and from other published data. The use of the Kolmogorov-Smirnov test has allowed confirming the statistical compatibility of all simulation results.

Reducing statistical uncertainties in simulated organ doses of phantoms immersed in water

DOE PAGES

Hiller, Mauritius M.; Veinot, Kenneth G.; Easterly, Clay E.; ...

2016-08-13

In this study, methods are addressed to reduce the computational time to compute organ-dose rate coefficients using Monte Carlo techniques. Several variance reduction techniques are compared including the reciprocity method, importance sampling, weight windows and the use of the ADVANTG software package. For low-energy photons, the runtime was reduced by a factor of 10 5 when using the reciprocity method for kerma computation for immersion of a phantom in contaminated water. This is particularly significant since impractically long simulation times are required to achieve reasonable statistical uncertainties in organ dose for low-energy photons in this source medium and geometry. Althoughmore » the MCNP Monte Carlo code is used in this paper, the reciprocity technique can be used equally well with other Monte Carlo codes.« less

Applying Quantum Monte Carlo to the Electronic Structure Problem

NASA Astrophysics Data System (ADS)

Powell, Andrew D.; Dawes, Richard

2016-06-01

Two distinct types of Quantum Monte Carlo (QMC) calculations are applied to electronic structure problems such as calculating potential energy curves and producing benchmark values for reaction barriers. First, Variational and Diffusion Monte Carlo (VMC and DMC) methods using a trial wavefunction subject to the fixed node approximation were tested using the CASINO code.[1] Next, Full Configuration Interaction Quantum Monte Carlo (FCIQMC), along with its initiator extension (i-FCIQMC) were tested using the NECI code.[2] FCIQMC seeks the FCI energy for a specific basis set. At a reduced cost, the efficient i-FCIQMC method can be applied to systems in which the standard FCIQMC approach proves to be too costly. Since all of these methods are statistical approaches, uncertainties (error-bars) are introduced for each calculated energy. This study tests the performance of the methods relative to traditional quantum chemistry for some benchmark systems. References: [1] R. J. Needs et al., J. Phys.: Condensed Matter 22, 023201 (2010). [2] G. H. Booth et al., J. Chem. Phys. 131, 054106 (2009).

Modelling of the sublimation of icy grains in the coma of comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Gicquel, A.; Vincent, J.-B.; Shi, X.; Sierks, H.; Rose, M.; Güttler, C.; Tubiana, C.

2015-10-01

The ESA (European Space Agency) Rosetta spacecraft was launched on 2 March 2004, to reach comet 67P/Churyumov-Gerasimenko in August 2014. Since March 2014, images of the nucleus and the coma (gas and dust) of the comet have been acquired by the OSIRIS (Optical, Spectroscopic, and Infrared Remote Imaging System) camera system [1] using both, the wide angle camera (WAC) and the narrow angle camera (NAC). The orbiter will be maintained in the vicinity of the comet until perihelion (Rh=1.3 AU) or even until Rh=1.8 AU post-perihelion (December 2015). Nineteen months of uninterrupted, close-up observations of the gas and dust coma will be obtained and will help to characterize the evolution of comet gas and dust activity during its approach to the Sun. Indeed, for the first time, we will follow the development of a comet's coma from a close distance. Also the study of the dust-gas interaction in the coma will highlight the sublimation of icy grains. Even if the sublimation of icy grains is known, it is not yet integrated in a complete dust-gas model. We are using the Direct Simulation Monte Carlo (DSMC) method to study the gas flow close to the nucleus. The code called PI-DSMC (www.pidsmc. com) can simulate millions of molecules for multiple species.When the gas flow is simulated, we inject the dust particle with a zero velocity and we take into account the 3 forces acting on the grains in a cometary environment (drag force, gravity and radiative pressure). We used the DLL (Dynamic Link Library) model to integrate the sublimation of icy grains in the gas flowand allow studying the effect of the additional gas on the dust particle trajectories. For a quantitative analysis of the sublimation of icy, outflowing grains we will consider an ensemble of grains of various radii with different compositions [2] The evolution of the grains, once they are ejected into the coma, depends on their initial size, their composition and the heliocentric distance (because the temperature of the grain is higher close to the Sun). The grain temperatures will be derived by assuming equilibrium between the energy absorbed from the Sun, the energy re-radiated in the infrared, and the cooling by sublimation. We will use Mie theory [3, 4] to compute the scattering properties of an assumed grain (grain size, shape and composition, including mineralogy and porosity). We follow the evolution of grains until the icy layer sublimates completely. Once ejected in the gas flow, the generated molecules have no preferred direction. First results highlighted that the sublimation has a significant influence on the dust trajectories and generates a gas cloud that moves with the velocity of the icy grains. Our model can produce artificial images for a wide range of parameters, including outgassing rate, surface temperature, dust properties and sublimation of icy grains. The results of this model will be compared to the images obtained with OSIRIS camera and to the published data from other instruments.

Monte Carlo simulation of liver cancer treatment with 166Ho-loaded glass microspheres

NASA Astrophysics Data System (ADS)

da Costa Guimarães, Carla; Moralles, Maurício; Roberto Martinelli, José

2014-02-01

Microspheres loaded with pure beta-emitter radioisotopes are used in the treatment of some types of liver cancer. The Instituto de Pesquisas Energéticas e Nucleares (IPEN) is developing 166Ho-loaded glass microspheres as an alternative to the commercially available 90Y microspheres. This work describes the implementation of a Monte Carlo code to simulate both the irradiation effects and the imaging of 166Ho and 90Y sources localized in different parts of the liver. Results obtained with the code and perspectives for the future are discussed.

Skyshine radiation from a pressurized water reactor containment dome

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng, W.H.

1986-06-01

The radiation dose rates resulting from airborne activities inside a postaccident pressurized water reactor containment are calculated by a discrete ordinates/Monte Carlo combined method. The calculated total dose rates and the skyshine component are presented as a function of distance from the containment at three different elevations for various gamma-ray source energies. The one-dimensional (ANISN code) is used to approximate the skyshine dose rates from the hemisphere dome, and the results are compared favorably to more rigorous results calculated by a three-dimensional Monte Carlo code.

ScintSim1: A new Monte Carlo simulation code for transport of optical photons in 2D arrays of scintillation detectors

PubMed Central

Mosleh-Shirazi, Mohammad Amin; Zarrini-Monfared, Zinat; Karbasi, Sareh; Zamani, Ali

2014-01-01

Two-dimensional (2D) arrays of thick segmented scintillators are of interest as X-ray detectors for both 2D and 3D image-guided radiotherapy (IGRT). Their detection process involves ionizing radiation energy deposition followed by production and transport of optical photons. Only a very limited number of optical Monte Carlo simulation models exist, which has limited the number of modeling studies that have considered both stages of the detection process. We present ScintSim1, an in-house optical Monte Carlo simulation code for 2D arrays of scintillation crystals, developed in the MATLAB programming environment. The code was rewritten and revised based on an existing program for single-element detectors, with the additional capability to model 2D arrays of elements with configurable dimensions, material, etc., The code generates and follows each optical photon history through the detector element (and, in case of cross-talk, the surrounding ones) until it reaches a configurable receptor, or is attenuated. The new model was verified by testing against relevant theoretically known behaviors or quantities and the results of a validated single-element model. For both sets of comparisons, the discrepancies in the calculated quantities were all <1%. The results validate the accuracy of the new code, which is a useful tool in scintillation detector optimization. PMID:24600168

ScintSim1: A new Monte Carlo simulation code for transport of optical photons in 2D arrays of scintillation detectors.

PubMed

Mosleh-Shirazi, Mohammad Amin; Zarrini-Monfared, Zinat; Karbasi, Sareh; Zamani, Ali

2014-01-01

Two-dimensional (2D) arrays of thick segmented scintillators are of interest as X-ray detectors for both 2D and 3D image-guided radiotherapy (IGRT). Their detection process involves ionizing radiation energy deposition followed by production and transport of optical photons. Only a very limited number of optical Monte Carlo simulation models exist, which has limited the number of modeling studies that have considered both stages of the detection process. We present ScintSim1, an in-house optical Monte Carlo simulation code for 2D arrays of scintillation crystals, developed in the MATLAB programming environment. The code was rewritten and revised based on an existing program for single-element detectors, with the additional capability to model 2D arrays of elements with configurable dimensions, material, etc., The code generates and follows each optical photon history through the detector element (and, in case of cross-talk, the surrounding ones) until it reaches a configurable receptor, or is attenuated. The new model was verified by testing against relevant theoretically known behaviors or quantities and the results of a validated single-element model. For both sets of comparisons, the discrepancies in the calculated quantities were all <1%. The results validate the accuracy of the new code, which is a useful tool in scintillation detector optimization.

The EPQ Code System for Simulating the Thermal Response of Plasma-Facing Components to High-Energy Electron Impact

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ward, Robert Cameron; Steiner, Don

2004-06-15

The generation of runaway electrons during a thermal plasma disruption is a concern for the safe and economical operation of a tokamak power system. Runaway electrons have high energy, 10 to 300 MeV, and may potentially cause extensive damage to plasma-facing components (PFCs) through large temperature increases, melting of metallic components, surface erosion, and possible burnout of coolant tubes. The EPQ code system was developed to simulate the thermal response of PFCs to a runaway electron impact. The EPQ code system consists of several parts: UNIX scripts that control the operation of an electron-photon Monte Carlo code to calculate themore » interaction of the runaway electrons with the plasma-facing materials; a finite difference code to calculate the thermal response, melting, and surface erosion of the materials; a code to process, scale, transform, and convert the electron Monte Carlo data to volumetric heating rates for use in the thermal code; and several minor and auxiliary codes for the manipulation and postprocessing of the data. The electron-photon Monte Carlo code used was Electron-Gamma-Shower (EGS), developed and maintained by the National Research Center of Canada. The Quick-Therm-Two-Dimensional-Nonlinear (QTTN) thermal code solves the two-dimensional cylindrical modified heat conduction equation using the Quickest third-order accurate and stable explicit finite difference method and is capable of tracking melting or surface erosion. The EPQ code system is validated using a series of analytical solutions and simulations of experiments. The verification of the QTTN thermal code with analytical solutions shows that the code with the Quickest method is better than 99.9% accurate. The benchmarking of the EPQ code system and QTTN versus experiments showed that QTTN's erosion tracking method is accurate within 30% and that EPQ is able to predict the occurrence of melting within the proper time constraints. QTTN and EPQ are verified and validated as able to calculate the temperature distribution, phase change, and surface erosion successfully.« less

Monte Carlo simulations of {sup 3}He ion physical characteristics in a water phantom and evaluation of radiobiological effectiveness

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taleei, Reza; Guan, Fada; Peeler, Chris

Purpose: {sup 3}He ions may hold great potential for clinical therapy because of both their physical and biological properties. In this study, the authors investigated the physical properties, i.e., the depth-dose curves from primary and secondary particles, and the energy distributions of helium ({sup 3}He) ions. A relative biological effectiveness (RBE) model was applied to assess the biological effectiveness on survival of multiple cell lines. Methods: In light of the lack of experimental measurements and cross sections, the authors used Monte Carlo methods to study the energy deposition of {sup 3}He ions. The transport of {sup 3}He ions in watermore » was simulated by using three Monte Carlo codes—FLUKA, GEANT4, and MCNPX—for incident beams with Gaussian energy distributions with average energies of 527 and 699 MeV and a full width at half maximum of 3.3 MeV in both cases. The RBE of each was evaluated by using the repair-misrepair-fixation model. In all of the simulations with each of the three Monte Carlo codes, the same geometry and primary beam parameters were used. Results: Energy deposition as a function of depth and energy spectra with high resolution was calculated on the central axis of the beam. Secondary proton dose from the primary {sup 3}He beams was predicted quite differently by the three Monte Carlo systems. The predictions differed by as much as a factor of 2. Microdosimetric parameters such as dose mean lineal energy (y{sub D}), frequency mean lineal energy (y{sub F}), and frequency mean specific energy (z{sub F}) were used to characterize the radiation beam quality at four depths of the Bragg curve. Calculated RBE values were close to 1 at the entrance, reached on average 1.8 and 1.6 for prostate and head and neck cancer cell lines at the Bragg peak for both energies, but showed some variations between the different Monte Carlo codes. Conclusions: Although the Monte Carlo codes provided different results in energy deposition and especially in secondary particle production (most of the differences between the three codes were observed close to the Bragg peak, where the energy spectrum broadens), the results in terms of RBE were generally similar.« less

On the utility of graphics cards to perform massively parallel simulation of advanced Monte Carlo methods

PubMed Central

Lee, Anthony; Yau, Christopher; Giles, Michael B.; Doucet, Arnaud; Holmes, Christopher C.

2011-01-01

We present a case-study on the utility of graphics cards to perform massively parallel simulation of advanced Monte Carlo methods. Graphics cards, containing multiple Graphics Processing Units (GPUs), are self-contained parallel computational devices that can be housed in conventional desktop and laptop computers and can be thought of as prototypes of the next generation of many-core processors. For certain classes of population-based Monte Carlo algorithms they offer massively parallel simulation, with the added advantage over conventional distributed multi-core processors that they are cheap, easily accessible, easy to maintain, easy to code, dedicated local devices with low power consumption. On a canonical set of stochastic simulation examples including population-based Markov chain Monte Carlo methods and Sequential Monte Carlo methods, we nd speedups from 35 to 500 fold over conventional single-threaded computer code. Our findings suggest that GPUs have the potential to facilitate the growth of statistical modelling into complex data rich domains through the availability of cheap and accessible many-core computation. We believe the speedup we observe should motivate wider use of parallelizable simulation methods and greater methodological attention to their design. PMID:22003276

Development of the MCNPX depletion capability: A Monte Carlo linked depletion method that automates the coupling between MCNPX and CINDER90 for high fidelity burnup calculations

NASA Astrophysics Data System (ADS)

Fensin, Michael Lorne

Monte Carlo-linked depletion methods have gained recent interest due to the ability to more accurately model complex 3-dimesional geometries and better track the evolution of temporal nuclide inventory by simulating the actual physical process utilizing continuous energy coefficients. The integration of CINDER90 into the MCNPX Monte Carlo radiation transport code provides a high-fidelity completely self-contained Monte-Carlo-linked depletion capability in a well established, widely accepted Monte Carlo radiation transport code that is compatible with most nuclear criticality (KCODE) particle tracking features in MCNPX. MCNPX depletion tracks all necessary reaction rates and follows as many isotopes as cross section data permits in order to achieve a highly accurate temporal nuclide inventory solution. This work chronicles relevant nuclear history, surveys current methodologies of depletion theory, details the methodology in applied MCNPX and provides benchmark results for three independent OECD/NEA benchmarks. Relevant nuclear history, from the Oklo reactor two billion years ago to the current major United States nuclear fuel cycle development programs, is addressed in order to supply the motivation for the development of this technology. A survey of current reaction rate and temporal nuclide inventory techniques is then provided to offer justification for the depletion strategy applied within MCNPX. The MCNPX depletion strategy is then dissected and each code feature is detailed chronicling the methodology development from the original linking of MONTEBURNS and MCNP to the most recent public release of the integrated capability (MCNPX 2.6.F). Calculation results of the OECD/NEA Phase IB benchmark, H. B. Robinson benchmark and OECD/NEA Phase IVB are then provided. The acceptable results of these calculations offer sufficient confidence in the predictive capability of the MCNPX depletion method. This capability sets up a significant foundation, in a well established and supported radiation transport code, for further development of a Monte Carlo-linked depletion methodology which is essential to the future development of advanced reactor technologies that exceed the limitations of current deterministic based methods.

Advances in Monte-Carlo code TRIPOLI-4®'s treatment of the electromagnetic cascade

NASA Astrophysics Data System (ADS)

Mancusi, Davide; Bonin, Alice; Hugot, François-Xavier; Malouch, Fadhel

2018-01-01

TRIPOLI-4® is a Monte-Carlo particle-transport code developed at CEA-Saclay (France) that is employed in the domains of nuclear-reactor physics, criticality-safety, shielding/radiation protection and nuclear instrumentation. The goal of this paper is to report on current developments, validation and verification made in TRIPOLI-4 in the electron/positron/photon sector. The new capabilities and improvements concern refinements to the electron transport algorithm, the introduction of a charge-deposition score, the new thick-target bremsstrahlung option, the upgrade of the bremsstrahlung model and the improvement of electron angular straggling at low energy. The importance of each of the developments above is illustrated by comparisons with calculations performed with other codes and with experimental data.

Calculation of response matrix of CaSO 4:Dy based neutron dosimeter using Monte Carlo code FLUKA and measurement of 241Am-Be spectra

NASA Astrophysics Data System (ADS)

Chatterjee, S.; Bakshi, A. K.; Tripathy, S. P.

2010-09-01

Response matrix for CaSO 4:Dy based neutron dosimeter was generated using Monte Carlo code FLUKA in the energy range thermal to 20 MeV for a set of eight Bonner spheres of diameter 3-12″ including the bare one. Response of the neutron dosimeter was measured for the above set of spheres for 241Am-Be neutron source covered with 2 mm lead. An analytical expression for the response function was devised as a function of sphere mass. Using Frascati Unfolding Iteration Tool (FRUIT) unfolding code, the neutron spectrum of 241Am-Be was unfolded and compared with standard IAEA spectrum for the same.

McSKY: A hybrid Monte-Carlo lime-beam code for shielded gamma skyshine calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shultis, J.K.; Faw, R.E.; Stedry, M.H.

1994-07-01

McSKY evaluates skyshine dose from an isotropic, monoenergetic, point photon source collimated into either a vertical cone or a vertical structure with an N-sided polygon cross section. The code assumes an overhead shield of two materials, through the user can specify zero shield thickness for an unshielded calculation. The code uses a Monte-Carlo algorithm to evaluate transport through source shields and the integral line source to describe photon transport through the atmosphere. The source energy must be between 0.02 and 100 MeV. For heavily shielded sources with energies above 20 MeV, McSKY results must be used cautiously, especially at detectormore » locations near the source.« less

MUFFSgenMC: An Open Source MUon Flexible Framework for Spectral GENeration for Monte Carlo Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chatzidakis, Stylianos; Greulich, Christopher

A cosmic ray Muon Flexible Framework for Spectral GENeration for Monte Carlo Applications (MUFFSgenMC) has been developed to support state-of-the-art cosmic ray muon tomographic applications. The flexible framework allows for easy and fast creation of source terms for popular Monte Carlo applications like GEANT4 and MCNP. This code framework simplifies the process of simulations used for cosmic ray muon tomography.

SU-E-T-254: Optimization of GATE and PHITS Monte Carlo Code Parameters for Uniform Scanning Proton Beam Based On Simulation with FLUKA General-Purpose Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kurosu, K; Department of Medical Physics ' Engineering, Osaka University Graduate School of Medicine, Osaka; Takashina, M

Purpose: Monte Carlo codes are becoming important tools for proton beam dosimetry. However, the relationships between the customizing parameters and percentage depth dose (PDD) of GATE and PHITS codes have not been reported which are studied for PDD and proton range compared to the FLUKA code and the experimental data. Methods: The beam delivery system of the Indiana University Health Proton Therapy Center was modeled for the uniform scanning beam in FLUKA and transferred identically into GATE and PHITS. This computational model was built from the blue print and validated with the commissioning data. Three parameters evaluated are the maximummore » step size, cut off energy and physical and transport model. The dependence of the PDDs on the customizing parameters was compared with the published results of previous studies. Results: The optimal parameters for the simulation of the whole beam delivery system were defined by referring to the calculation results obtained with each parameter. Although the PDDs from FLUKA and the experimental data show a good agreement, those of GATE and PHITS obtained with our optimal parameters show a minor discrepancy. The measured proton range R90 was 269.37 mm, compared to the calculated range of 269.63 mm, 268.96 mm, and 270.85 mm with FLUKA, GATE and PHITS, respectively. Conclusion: We evaluated the dependence of the results for PDDs obtained with GATE and PHITS Monte Carlo generalpurpose codes on the customizing parameters by using the whole computational model of the treatment nozzle. The optimal parameters for the simulation were then defined by referring to the calculation results. The physical model, particle transport mechanics and the different geometrybased descriptions need accurate customization in three simulation codes to agree with experimental data for artifact-free Monte Carlo simulation. This study was supported by Grants-in Aid for Cancer Research (H22-3rd Term Cancer Control-General-043) from the Ministry of Health, Labor and Welfare of Japan, Grants-in-Aid for Scientific Research (No. 23791419), and JSPS Core-to-Core program (No. 23003). The authors have no conflict of interest.« less

TU-AB-BRC-10: Modeling of Radiotherapy Linac Source Terms Using ARCHER Monte Carlo Code: Performance Comparison of GPU and MIC Computing Accelerators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, T; Lin, H; Xu, X

Purpose: (1) To perform phase space (PS) based source modeling for Tomotherapy and Varian TrueBeam 6 MV Linacs, (2) to examine the accuracy and performance of the ARCHER Monte Carlo code on a heterogeneous computing platform with Many Integrated Core coprocessors (MIC, aka Xeon Phi) and GPUs, and (3) to explore the software micro-optimization methods. Methods: The patient-specific source of Tomotherapy and Varian TrueBeam Linacs was modeled using the PS approach. For the helical Tomotherapy case, the PS data were calculated in our previous study (Su et al. 2014 41(7) Medical Physics). For the single-view Varian TrueBeam case, we analyticallymore » derived them from the raw patient-independent PS data in IAEA’s database, partial geometry information of the jaw and MLC as well as the fluence map. The phantom was generated from DICOM images. The Monte Carlo simulation was performed by ARCHER-MIC and GPU codes, which were benchmarked against a modified parallel DPM code. Software micro-optimization was systematically conducted, and was focused on SIMD vectorization of tight for-loops and data prefetch, with the ultimate goal of increasing 512-bit register utilization and reducing memory access latency. Results: Dose calculation was performed for two clinical cases, a Tomotherapy-based prostate cancer treatment and a TrueBeam-based left breast treatment. ARCHER was verified against the DPM code. The statistical uncertainty of the dose to the PTV was less than 1%. Using double-precision, the total wall time of the multithreaded CPU code on a X5650 CPU was 339 seconds for the Tomotherapy case and 131 seconds for the TrueBeam, while on 3 5110P MICs it was reduced to 79 and 59 seconds, respectively. The single-precision GPU code on a K40 GPU took 45 seconds for the Tomotherapy dose calculation. Conclusion: We have extended ARCHER, the MIC and GPU-based Monte Carlo dose engine to Tomotherapy and Truebeam dose calculations.« less

Diagnosing Undersampling Biases in Monte Carlo Eigenvalue and Flux Tally Estimates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perfetti, Christopher M.; Rearden, Bradley T.; Marshall, William J.

2017-02-08

Here, this study focuses on understanding the phenomena in Monte Carlo simulations known as undersampling, in which Monte Carlo tally estimates may not encounter a sufficient number of particles during each generation to obtain unbiased tally estimates. Steady-state Monte Carlo simulations were performed using the KENO Monte Carlo tools within the SCALE code system for models of several burnup credit applications with varying degrees of spatial and isotopic complexities, and the incidence and impact of undersampling on eigenvalue and flux estimates were examined. Using an inadequate number of particle histories in each generation was found to produce a maximum bias of ~100 pcm in eigenvalue estimates and biases that exceeded 10% in fuel pin flux tally estimates. Having quantified the potential magnitude of undersampling biases in eigenvalue and flux tally estimates in these systems, this study then investigated whether Markov Chain Monte Carlo convergence metrics could be integrated into Monte Carlo simulations to predict the onset and magnitude of undersampling biases. Five potential metrics for identifying undersampling biases were implemented in the SCALE code system and evaluated for their ability to predict undersampling biases by comparing the test metric scores with the observed undersampling biases. Finally, of the five convergence metrics that were investigated, three (the Heidelberger-Welch relative half-width, the Gelman-Rubin more » $$\\hat{R}_c$$ diagnostic, and tally entropy) showed the potential to accurately predict the behavior of undersampling biases in the responses examined.« less

Building Process Improvement Business Cases Using Bayesian Belief Networks and Monte Carlo Simulation

DTIC Science & Technology

2009-07-01

simulation. The pilot described in this paper used this two-step approach within a Define, Measure, Analyze, Improve, and Control ( DMAIC ) framework to...networks, BBN, Monte Carlo simulation, DMAIC , Six Sigma, business case 15. NUMBER OF PAGES 35 16. PRICE CODE 17. SECURITY CLASSIFICATION OF

METHES: A Monte Carlo collision code for the simulation of electron transport in low temperature plasmas

NASA Astrophysics Data System (ADS)

Rabie, M.; Franck, C. M.

2016-06-01

We present a freely available MATLAB code for the simulation of electron transport in arbitrary gas mixtures in the presence of uniform electric fields. For steady-state electron transport, the program provides the transport coefficients, reaction rates and the electron energy distribution function. The program uses established Monte Carlo techniques and is compatible with the electron scattering cross section files from the open-access Plasma Data Exchange Project LXCat. The code is written in object-oriented design, allowing the tracing and visualization of the spatiotemporal evolution of electron swarms and the temporal development of the mean energy and the electron number due to attachment and/or ionization processes. We benchmark our code with well-known model gases as well as the real gases argon, N2, O2, CF4, SF6 and mixtures of N2 and O2.

A parallel Monte Carlo code for planar and SPECT imaging: implementation, verification and applications in (131)I SPECT.

PubMed

Dewaraja, Yuni K; Ljungberg, Michael; Majumdar, Amitava; Bose, Abhijit; Koral, Kenneth F

2002-02-01

This paper reports the implementation of the SIMIND Monte Carlo code on an IBM SP2 distributed memory parallel computer. Basic aspects of running Monte Carlo particle transport calculations on parallel architectures are described. Our parallelization is based on equally partitioning photons among the processors and uses the Message Passing Interface (MPI) library for interprocessor communication and the Scalable Parallel Random Number Generator (SPRNG) to generate uncorrelated random number streams. These parallelization techniques are also applicable to other distributed memory architectures. A linear increase in computing speed with the number of processors is demonstrated for up to 32 processors. This speed-up is especially significant in Single Photon Emission Computed Tomography (SPECT) simulations involving higher energy photon emitters, where explicit modeling of the phantom and collimator is required. For (131)I, the accuracy of the parallel code is demonstrated by comparing simulated and experimental SPECT images from a heart/thorax phantom. Clinically realistic SPECT simulations using the voxel-man phantom are carried out to assess scatter and attenuation correction.

Multi-D Full Boltzmann Neutrino Hydrodynamic Simulations in Core Collapse Supernovae and their detailed comparison with Monte Carlo method

NASA Astrophysics Data System (ADS)

Nagakura, Hiroki; Richers, Sherwood; Ott, Christian; Iwakami, Wakana; Furusawa, Shun; Sumiyoshi, Kohsuke; Yamada, Shoichi

2017-01-01

We have developed a multi-d radiation-hydrodynamic code which solves first-principles Boltzmann equation for neutrino transport. It is currently applicable specifically for core-collapse supernovae (CCSNe), but we will extend their applicability to further extreme phenomena such as black hole formation and coalescence of double neutron stars. In this meeting, I will discuss about two things; (1) detailed comparison with a Monte-Carlo neutrino transport (2) axisymmetric CCSNe simulations. The project (1) gives us confidence of our code. The Monte-Carlo code has been developed by Caltech group and it is specialized to obtain a steady state. Among CCSNe community, this is the first attempt to compare two different methods for multi-d neutrino transport. I will show the result of these comparison. For the project (2), I particularly focus on the property of neutrino distribution function in the semi-transparent region where only first-principle Boltzmann solver can appropriately handle the neutrino transport. In addition to these analyses, I will also discuss the ``explodability'' by neutrino heating mechanism.

Computing Temperatures in Optically Thick Protoplanetary Disks

NASA Technical Reports Server (NTRS)

Capuder, Lawrence F.. Jr.

2011-01-01

We worked with a Monte Carlo radiative transfer code to simulate the transfer of energy through protoplanetary disks, where planet formation occurs. The code tracks photons from the star into the disk, through scattering, absorption and re-emission, until they escape to infinity. High optical depths in the disk interior dominate the computation time because it takes the photon packet many interactions to get out of the region. High optical depths also receive few photons and therefore do not have well-estimated temperatures. We applied a modified random walk (MRW) approximation for treating high optical depths and to speed up the Monte Carlo calculations. The MRW is implemented by calculating the average number of interactions the photon packet will undergo in diffusing within a single cell of the spatial grid and then updating the packet position, packet frequencies, and local radiation absorption rate appropriately. The MRW approximation was then tested for accuracy and speed compared to the original code. We determined that MRW provides accurate answers to Monte Carlo Radiative transfer simulations. The speed gained from using MRW is shown to be proportional to the disk mass.

LLNL Mercury Project Trinity Open Science Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brantley, Patrick; Dawson, Shawn; McKinley, Scott

2016-04-20

The Mercury Monte Carlo particle transport code developed at Lawrence Livermore National Laboratory (LLNL) is used to simulate the transport of radiation through urban environments. These challenging calculations include complicated geometries and require significant computational resources to complete. As a result, a question arises as to the level of convergence of the calculations with Monte Carlo simulation particle count. In the Trinity Open Science calculations, one main focus was to investigate convergence of the relevant simulation quantities with Monte Carlo particle count to assess the current simulation methodology. Both for this application space but also of more general applicability, wemore » also investigated the impact of code algorithms on parallel scaling on the Trinity machine as well as the utilization of the Trinity DataWarp burst buffer technology in Mercury via the LLNL Scalable Checkpoint/Restart (SCR) library.« less

Validation of a vector version of the 6S radiative transfer code for atmospheric correction of satellite data. Part I: Path radiance

NASA Astrophysics Data System (ADS)

Kotchenova, Svetlana Y.; Vermote, Eric F.; Matarrese, Raffaella; Klemm, Frank J., Jr.

2006-09-01

A vector version of the 6S (Second Simulation of a Satellite Signal in the Solar Spectrum) radiative transfer code (6SV1), which enables accounting for radiation polarization, has been developed and validated against a Monte Carlo code, Coulson's tabulated values, and MOBY (Marine Optical Buoy System) water-leaving reflectance measurements. The developed code was also tested against the scalar codes SHARM, DISORT, and MODTRAN to evaluate its performance in scalar mode and the influence of polarization. The obtained results have shown a good agreement of 0.7% in comparison with the Monte Carlo code, 0.2% for Coulson's tabulated values, and 0.001-0.002 for the 400-550 nm region for the MOBY reflectances. Ignoring the effects of polarization led to large errors in calculated top-of-atmosphere reflectances: more than 10% for a molecular atmosphere and up to 5% for an aerosol atmosphere. This new version of 6S is intended to replace the previous scalar version used for calculation of lookup tables in the MODIS (Moderate Resolution Imaging Spectroradiometer) atmospheric correction algorithm.

Validation of a vector version of the 6S radiative transfer code for atmospheric correction of satellite data. Part I: path radiance.

PubMed

Kotchenova, Svetlana Y; Vermote, Eric F; Matarrese, Raffaella; Klemm, Frank J

2006-09-10

A vector version of the 6S (Second Simulation of a Satellite Signal in the Solar Spectrum) radiative transfer code (6SV1), which enables accounting for radiation polarization, has been developed and validated against a Monte Carlo code, Coulson's tabulated values, and MOBY (Marine Optical Buoy System) water-leaving reflectance measurements. The developed code was also tested against the scalar codes SHARM, DISORT, and MODTRAN to evaluate its performance in scalar mode and the influence of polarization. The obtained results have shown a good agreement of 0.7% in comparison with the Monte Carlo code, 0.2% for Coulson's tabulated values, and 0.001-0.002 for the 400-550 nm region for the MOBY reflectances. Ignoring the effects of polarization led to large errors in calculated top-of-atmosphere reflectances: more than 10% for a molecular atmosphere and up to 5% for an aerosol atmosphere. This new version of 6S is intended to replace the previous scalar version used for calculation of lookup tables in the MODIS (Moderate Resolution Imaging Spectroradiometer) atmospheric correction algorithm.

Effect of the multiple scattering of electrons in Monte Carlo simulation of LINACS.

PubMed

Vilches, Manuel; García-Pareja, Salvador; Guerrero, Rafael; Anguiano, Marta; Lallena, Antonio M

2008-01-01

Results obtained from Monte Carlo simulations of the transport of electrons in thin slabs of dense material media and air slabs with different widths are analyzed. Various general purpose Monte Carlo codes have been used: PENELOPE, GEANT3, GEANT4, EGSNRC, MCNPX. Non-negligible differences between the angular and radial distributions after the slabs have been found. The effects of these differences on the depth doses measured in water are also discussed.

Combined experimental and Monte Carlo verification of brachytherapy plans for vaginal applicators

NASA Astrophysics Data System (ADS)

Sloboda, Ron S.; Wang, Ruqing

1998-12-01

Dose rates in a phantom around a shielded and an unshielded vaginal applicator containing Selectron low-dose-rate sources were determined by experiment and Monte Carlo simulation. Measurements were performed with thermoluminescent dosimeters in a white polystyrene phantom using an experimental protocol geared for precision. Calculations for the same set-up were done using a version of the EGS4 Monte Carlo code system modified for brachytherapy applications into which a new combinatorial geometry package developed by Bielajew was recently incorporated. Measured dose rates agree with Monte Carlo estimates to within 5% (1 SD) for the unshielded applicator, while highlighting some experimental uncertainties for the shielded applicator. Monte Carlo calculations were also done to determine a value for the effective transmission of the shield required for clinical treatment planning, and to estimate the dose rate in water at points in axial and sagittal planes transecting the shielded applicator. Comparison with dose rates generated by the planning system indicates that agreement is better than 5% (1 SD) at most positions. The precision thermoluminescent dosimetry protocol and modified Monte Carlo code are effective complementary tools for brachytherapy applicator dosimetry.

MCMEG: Simulations of both PDD and TPR for 6 MV LINAC photon beam using different MC codes

NASA Astrophysics Data System (ADS)

Fonseca, T. C. F.; Mendes, B. M.; Lacerda, M. A. S.; Silva, L. A. C.; Paixão, L.; Bastos, F. M.; Ramirez, J. V.; Junior, J. P. R.

2017-11-01

The Monte Carlo Modelling Expert Group (MCMEG) is an expert network specializing in Monte Carlo radiation transport and the modelling and simulation applied to the radiation protection and dosimetry research field. For the first inter-comparison task the group launched an exercise to model and simulate a 6 MV LINAC photon beam using the Monte Carlo codes available within their laboratories and validate their simulated results by comparing them with experimental measurements carried out in the National Cancer Institute (INCA) in Rio de Janeiro, Brazil. The experimental measurements were performed using an ionization chamber with calibration traceable to a Secondary Standard Dosimetry Laboratory (SSDL). The detector was immersed in a water phantom at different depths and was irradiated with a radiation field size of 10×10 cm2. This exposure setup was used to determine the dosimetric parameters Percentage Depth Dose (PDD) and Tissue Phantom Ratio (TPR). The validation process compares the MC calculated results to the experimental measured PDD20,10 and TPR20,10. Simulations were performed reproducing the experimental TPR20,10 quality index which provides a satisfactory description of both the PDD curve and the transverse profiles at the two depths measured. This paper reports in detail the modelling process using MCNPx, MCNP6, EGSnrc and Penelope Monte Carlo codes, the source and tally descriptions, the validation processes and the results.

FitSKIRT: genetic algorithms to automatically fit dusty galaxies with a Monte Carlo radiative transfer code

NASA Astrophysics Data System (ADS)

De Geyter, G.; Baes, M.; Fritz, J.; Camps, P.

2013-02-01

We present FitSKIRT, a method to efficiently fit radiative transfer models to UV/optical images of dusty galaxies. These images have the advantage that they have better spatial resolution compared to FIR/submm data. FitSKIRT uses the GAlib genetic algorithm library to optimize the output of the SKIRT Monte Carlo radiative transfer code. Genetic algorithms prove to be a valuable tool in handling the multi- dimensional search space as well as the noise induced by the random nature of the Monte Carlo radiative transfer code. FitSKIRT is tested on artificial images of a simulated edge-on spiral galaxy, where we gradually increase the number of fitted parameters. We find that we can recover all model parameters, even if all 11 model parameters are left unconstrained. Finally, we apply the FitSKIRT code to a V-band image of the edge-on spiral galaxy NGC 4013. This galaxy has been modeled previously by other authors using different combinations of radiative transfer codes and optimization methods. Given the different models and techniques and the complexity and degeneracies in the parameter space, we find reasonable agreement between the different models. We conclude that the FitSKIRT method allows comparison between different models and geometries in a quantitative manner and minimizes the need of human intervention and biasing. The high level of automation makes it an ideal tool to use on larger sets of observed data.

Solution of the Burnett equations for hypersonic flows near the continuum limit

NASA Technical Reports Server (NTRS)

Imlay, Scott T.

1992-01-01

The INCA code, a three-dimensional Navier-Stokes code for analysis of hypersonic flowfields, was modified to analyze the lower reaches of the continuum transition regime, where the Navier-Stokes equations become inaccurate and Monte Carlo methods become too computationally expensive. The two-dimensional Burnett equations and the three-dimensional rotational energy transport equation were added to the code and one- and two-dimensional calculations were performed. For the structure of normal shock waves, the Burnett equations give consistently better results than Navier-Stokes equations and compare reasonably well with Monte Carlo methods. For two-dimensional flow of Nitrogen past a circular cylinder the Burnett equations predict the total drag reasonably well. Care must be taken, however, not to exceed the range of validity of the Burnett equations.

Monte Carlo simulation of ion-neutral charge exchange collisions and grid erosion in an ion thruster

NASA Technical Reports Server (NTRS)

Peng, Xiaohang; Ruyten, Wilhelmus M.; Keefer, Dennis

1991-01-01

A combined particle-in-cell (PIC)/Monte Carlo simulation model has been developed in which the PIC method is used to simulate the charge exchange collisions. It is noted that a number of features were reproduced correctly by this code, but that its assumption of two-dimensional axisymmetry for a single set of grid apertures precluded the reproduction of the most characteristic feature of actual test data; namely, the concentrated grid erosion at the geometric center of the hexagonal aperture array. The first results of a three-dimensional code, which takes into account the hexagonal symmetry of the grid, are presented. It is shown that, with this code, the experimentally observed erosion patterns are reproduced correctly, demonstrating explicitly the concentration of sputtering between apertures.

Accuracy and convergence of coupled finite-volume/Monte Carlo codes for plasma edge simulations of nuclear fusion reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghoos, K., E-mail: kristel.ghoos@kuleuven.be; Dekeyser, W.; Samaey, G.

2016-10-01

The plasma and neutral transport in the plasma edge of a nuclear fusion reactor is usually simulated using coupled finite volume (FV)/Monte Carlo (MC) codes. However, under conditions of future reactors like ITER and DEMO, convergence issues become apparent. This paper examines the convergence behaviour and the numerical error contributions with a simplified FV/MC model for three coupling techniques: Correlated Sampling, Random Noise and Robbins Monro. Also, practical procedures to estimate the errors in complex codes are proposed. Moreover, first results with more complex models show that an order of magnitude speedup can be achieved without any loss in accuracymore » by making use of averaging in the Random Noise coupling technique.« less

Scaling GDL for Multi-cores to Process Planck HFI Beams Monte Carlo on HPC

NASA Astrophysics Data System (ADS)

Coulais, A.; Schellens, M.; Duvert, G.; Park, J.; Arabas, S.; Erard, S.; Roudier, G.; Hivon, E.; Mottet, S.; Laurent, B.; Pinter, M.; Kasradze, N.; Ayad, M.

2014-05-01

After reviewing the majors progress done in GDL -now in 0.9.4- on performance and plotting capabilities since ADASS XXI paper (Coulais et al. 2012), we detail how a large code for Planck HFI beams Monte Carlo was successfully transposed from IDL to GDL on HPC.

A Novel Implementation of Massively Parallel Three Dimensional Monte Carlo Radiation Transport

NASA Astrophysics Data System (ADS)

Robinson, P. B.; Peterson, J. D. L.

2005-12-01

The goal of our summer project was to implement the difference formulation for radiation transport into Cosmos++, a multidimensional, massively parallel, magneto hydrodynamics code for astrophysical applications (Peter Anninos - AX). The difference formulation is a new method for Symbolic Implicit Monte Carlo thermal transport (Brooks and Szöke - PAT). Formerly, simultaneous implementation of fully implicit Monte Carlo radiation transport in multiple dimensions on multiple processors had not been convincingly demonstrated. We found that a combination of the difference formulation and the inherent structure of Cosmos++ makes such an implementation both accurate and straightforward. We developed a "nearly nearest neighbor physics" technique to allow each processor to work independently, even with a fully implicit code. This technique coupled with the increased accuracy of an implicit Monte Carlo solution and the efficiency of parallel computing systems allows us to demonstrate the possibility of massively parallel thermal transport. This work was performed under the auspices of the U.S. Department of Energy by University of California Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48

Accelerating Monte Carlo simulations of photon transport in a voxelized geometry using a massively parallel graphics processing unit.

PubMed

Badal, Andreu; Badano, Aldo

2009-11-01

It is a known fact that Monte Carlo simulations of radiation transport are computationally intensive and may require long computing times. The authors introduce a new paradigm for the acceleration of Monte Carlo simulations: The use of a graphics processing unit (GPU) as the main computing device instead of a central processing unit (CPU). A GPU-based Monte Carlo code that simulates photon transport in a voxelized geometry with the accurate physics models from PENELOPE has been developed using the CUDATM programming model (NVIDIA Corporation, Santa Clara, CA). An outline of the new code and a sample x-ray imaging simulation with an anthropomorphic phantom are presented. A remarkable 27-fold speed up factor was obtained using a GPU compared to a single core CPU. The reported results show that GPUs are currently a good alternative to CPUs for the simulation of radiation transport. Since the performance of GPUs is currently increasing at a faster pace than that of CPUs, the advantages of GPU-based software are likely to be more pronounced in the future.

An empirical approach to estimate near-infra-red photon propagation and optically induced drug release in brain tissues

NASA Astrophysics Data System (ADS)

Prabhu Verleker, Akshay; Fang, Qianqian; Choi, Mi-Ran; Clare, Susan; Stantz, Keith M.

2015-03-01

The purpose of this study is to develop an alternate empirical approach to estimate near-infra-red (NIR) photon propagation and quantify optically induced drug release in brain metastasis, without relying on computationally expensive Monte Carlo techniques (gold standard). Targeted drug delivery with optically induced drug release is a noninvasive means to treat cancers and metastasis. This study is part of a larger project to treat brain metastasis by delivering lapatinib-drug-nanocomplexes and activating NIR-induced drug release. The empirical model was developed using a weighted approach to estimate photon scattering in tissues and calibrated using a GPU based 3D Monte Carlo. The empirical model was developed and tested against Monte Carlo in optical brain phantoms for pencil beams (width 1mm) and broad beams (width 10mm). The empirical algorithm was tested against the Monte Carlo for different albedos along with diffusion equation and in simulated brain phantoms resembling white-matter (μs'=8.25mm-1, μa=0.005mm-1) and gray-matter (μs'=2.45mm-1, μa=0.035mm-1) at wavelength 800nm. The goodness of fit between the two models was determined using coefficient of determination (R-squared analysis). Preliminary results show the Empirical algorithm matches Monte Carlo simulated fluence over a wide range of albedo (0.7 to 0.99), while the diffusion equation fails for lower albedo. The photon fluence generated by empirical code matched the Monte Carlo in homogeneous phantoms (R2=0.99). While GPU based Monte Carlo achieved 300X acceleration compared to earlier CPU based models, the empirical code is 700X faster than the Monte Carlo for a typical super-Gaussian laser beam.

PEPSI — a Monte Carlo generator for polarized leptoproduction

NASA Astrophysics Data System (ADS)

Mankiewicz, L.; Schäfer, A.; Veltri, M.

1992-09-01

We describe PEPSI (Polarized Electron Proton Scattering Interactions), a Monte Carlo program for polarized deep inelastic leptoproduction mediated by electromagnetic interaction, and explain how to use it. The code is a modification of the LEPTO 4.3 Lund Monte Carlo for unpolarized scattering. The hard virtual gamma-parton scattering is generated according to the polarization-dependent QCD cross-section of the first order in α S. PEPSI requires the standard polarization-independent JETSET routines to simulate the fragmentation into final hadrons.

Modifications to Axially Symmetric Simulations Using New DSMC (2007) Algorithms

NASA Technical Reports Server (NTRS)

Liechty, Derek S.

2008-01-01

Several modifications aimed at improving physical accuracy are proposed for solving axially symmetric problems building on the DSMC (2007) algorithms introduced by Bird. Originally developed to solve nonequilibrium, rarefied flows, the DSMC method is now regularly used to solve complex problems over a wide range of Knudsen numbers. These new algorithms include features such as nearest neighbor collisions excluding the previous collision partners, separate collision and sampling cells, automatically adaptive variable time steps, a modified no-time counter procedure for collisions, and discontinuous and event-driven physical processes. Axially symmetric solutions require radial weighting for the simulated molecules since the molecules near the axis represent fewer real molecules than those farther away from the axis due to the difference in volume of the cells. In the present methodology, these radial weighting factors are continuous, linear functions that vary with the radial position of each simulated molecule. It is shown that how one defines the number of tentative collisions greatly influences the mean collision time near the axis. The method by which the grid is treated for axially symmetric problems also plays an important role near the axis, especially for scalar pressure. A new method to treat how the molecules are traced through the grid is proposed to alleviate the decrease in scalar pressure at the axis near the surface. Also, a modification to the duplication buffer is proposed to vary the duplicated molecular velocities while retaining the molecular kinetic energy and axially symmetric nature of the problem.

The radiation fields around a proton therapy facility: A comparison of Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Ottaviano, G.; Picardi, L.; Pillon, M.; Ronsivalle, C.; Sandri, S.

2014-02-01

A proton therapy test facility with a beam current lower than 10 nA in average, and an energy up to 150 MeV, is planned to be sited at the Frascati ENEA Research Center, in Italy. The accelerator is composed of a sequence of linear sections. The first one is a commercial 7 MeV proton linac, from which the beam is injected in a SCDTL (Side Coupled Drift Tube Linac) structure reaching the energy of 52 MeV. Then a conventional CCL (coupled Cavity Linac) with side coupling cavities completes the accelerator. The linear structure has the important advantage that the main radiation losses during the acceleration process occur to protons with energy below 20 MeV, with a consequent low production of neutrons and secondary radiation. From the radiation protection point of view the source of radiation for this facility is then almost completely located at the final target. Physical and geometrical models of the device have been developed and implemented into radiation transport computer codes based on the Monte Carlo method. The scope is the assessment of the radiation field around the main source for supporting the safety analysis. For the assessment independent researchers used two different Monte Carlo computer codes named FLUKA (FLUktuierende KAskade) and MCNPX (Monte Carlo N-Particle eXtended) respectively. Both are general purpose tools for calculations of particle transport and interactions with matter, covering an extended range of applications including proton beam analysis. Nevertheless each one utilizes its own nuclear cross section libraries and uses specific physics models for particle types and energies. The models implemented into the codes are described and the results are presented. The differences between the two calculations are reported and discussed pointing out disadvantages and advantages of each code in the specific application.

Development of Monte Carlo based real-time treatment planning system with fast calculation algorithm for boron neutron capture therapy.

PubMed

Takada, Kenta; Kumada, Hiroaki; Liem, Peng Hong; Sakurai, Hideyuki; Sakae, Takeji

2016-12-01

We simulated the effect of patient displacement on organ doses in boron neutron capture therapy (BNCT). In addition, we developed a faster calculation algorithm (NCT high-speed) to simulate irradiation more efficiently. We simulated dose evaluation for the standard irradiation position (reference position) using a head phantom. Cases were assumed where the patient body is shifted in lateral directions compared to the reference position, as well as in the direction away from the irradiation aperture. For three groups of neutron (thermal, epithermal, and fast), flux distribution using NCT high-speed with a voxelized homogeneous phantom was calculated. The three groups of neutron fluxes were calculated for the same conditions with Monte Carlo code. These calculated results were compared. In the evaluations of body movements, there were no significant differences even with shifting up to 9mm in the lateral directions. However, the dose decreased by about 10% with shifts of 9mm in a direction away from the irradiation aperture. When comparing both calculations in the phantom surface up to 3cm, the maximum differences between the fluxes calculated by NCT high-speed with those calculated by Monte Carlo code for thermal neutrons and epithermal neutrons were 10% and 18%, respectively. The time required for NCT high-speed code was about 1/10th compared to Monte Carlo calculation. In the evaluation, the longitudinal displacement has a considerable effect on the organ doses. We also achieved faster calculation of depth distribution of thermal neutron flux using NCT high-speed calculation code. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Fast GPU-based Monte Carlo simulations for LDR prostate brachytherapy.

PubMed

Bonenfant, Éric; Magnoux, Vincent; Hissoiny, Sami; Ozell, Benoît; Beaulieu, Luc; Després, Philippe

2015-07-07

The aim of this study was to evaluate the potential of bGPUMCD, a Monte Carlo algorithm executed on Graphics Processing Units (GPUs), for fast dose calculations in permanent prostate implant dosimetry. It also aimed to validate a low dose rate brachytherapy source in terms of TG-43 metrics and to use this source to compute dose distributions for permanent prostate implant in very short times. The physics of bGPUMCD was reviewed and extended to include Rayleigh scattering and fluorescence from photoelectric interactions for all materials involved. The radial and anisotropy functions were obtained for the Nucletron SelectSeed in TG-43 conditions. These functions were compared to those found in the MD Anderson Imaging and Radiation Oncology Core brachytherapy source registry which are considered the TG-43 reference values. After appropriate calibration of the source, permanent prostate implant dose distributions were calculated for four patients and compared to an already validated Geant4 algorithm. The radial function calculated from bGPUMCD showed excellent agreement (differences within 1.3%) with TG-43 accepted values. The anisotropy functions at r = 1 cm and r = 4 cm were within 2% of TG-43 values for angles over 17.5°. For permanent prostate implants, Monte Carlo-based dose distributions with a statistical uncertainty of 1% or less for the target volume were obtained in 30 s or less for 1 × 1 × 1 mm(3) calculation grids. Dosimetric indices were very similar (within 2.7%) to those obtained with a validated, independent Monte Carlo code (Geant4) performing the calculations for the same cases in a much longer time (tens of minutes to more than a hour). bGPUMCD is a promising code that lets envision the use of Monte Carlo techniques in a clinical environment, with sub-minute execution times on a standard workstation. Future work will explore the use of this code with an inverse planning method to provide a complete Monte Carlo-based planning solution.

Fast GPU-based Monte Carlo simulations for LDR prostate brachytherapy

NASA Astrophysics Data System (ADS)

Bonenfant, Éric; Magnoux, Vincent; Hissoiny, Sami; Ozell, Benoît; Beaulieu, Luc; Després, Philippe

2015-07-01

The aim of this study was to evaluate the potential of bGPUMCD, a Monte Carlo algorithm executed on Graphics Processing Units (GPUs), for fast dose calculations in permanent prostate implant dosimetry. It also aimed to validate a low dose rate brachytherapy source in terms of TG-43 metrics and to use this source to compute dose distributions for permanent prostate implant in very short times. The physics of bGPUMCD was reviewed and extended to include Rayleigh scattering and fluorescence from photoelectric interactions for all materials involved. The radial and anisotropy functions were obtained for the Nucletron SelectSeed in TG-43 conditions. These functions were compared to those found in the MD Anderson Imaging and Radiation Oncology Core brachytherapy source registry which are considered the TG-43 reference values. After appropriate calibration of the source, permanent prostate implant dose distributions were calculated for four patients and compared to an already validated Geant4 algorithm. The radial function calculated from bGPUMCD showed excellent agreement (differences within 1.3%) with TG-43 accepted values. The anisotropy functions at r = 1 cm and r = 4 cm were within 2% of TG-43 values for angles over 17.5°. For permanent prostate implants, Monte Carlo-based dose distributions with a statistical uncertainty of 1% or less for the target volume were obtained in 30 s or less for 1 × 1 × 1 mm3 calculation grids. Dosimetric indices were very similar (within 2.7%) to those obtained with a validated, independent Monte Carlo code (Geant4) performing the calculations for the same cases in a much longer time (tens of minutes to more than a hour). bGPUMCD is a promising code that lets envision the use of Monte Carlo techniques in a clinical environment, with sub-minute execution times on a standard workstation. Future work will explore the use of this code with an inverse planning method to provide a complete Monte Carlo-based planning solution.

Development of a new multi-modal Monte-Carlo radiotherapy planning system.

PubMed

Kumada, H; Nakamura, T; Komeda, M; Matsumura, A

2009-07-01

A new multi-modal Monte-Carlo radiotherapy planning system (developing code: JCDS-FX) is under development at Japan Atomic Energy Agency. This system builds on fundamental technologies of JCDS applied to actual boron neutron capture therapy (BNCT) trials in JRR-4. One of features of the JCDS-FX is that PHITS has been applied to particle transport calculation. PHITS is a multi-purpose particle Monte-Carlo transport code. Hence application of PHITS enables to evaluate total doses given to a patient by a combined modality therapy. Moreover, JCDS-FX with PHITS can be used for the study of accelerator based BNCT. To verify calculation accuracy of the JCDS-FX, dose evaluations for neutron irradiation of a cylindrical water phantom and for an actual clinical trial were performed, then the results were compared with calculations by JCDS with MCNP. The verification results demonstrated that JCDS-FX is applicable to BNCT treatment planning in practical use.

Implementation, capabilities, and benchmarking of Shift, a massively parallel Monte Carlo radiation transport code

DOE PAGES

Pandya, Tara M.; Johnson, Seth R.; Evans, Thomas M.; ...

2015-12-21

This paper discusses the implementation, capabilities, and validation of Shift, a massively parallel Monte Carlo radiation transport package developed and maintained at Oak Ridge National Laboratory. It has been developed to scale well from laptop to small computing clusters to advanced supercomputers. Special features of Shift include hybrid capabilities for variance reduction such as CADIS and FW-CADIS, and advanced parallel decomposition and tally methods optimized for scalability on supercomputing architectures. Shift has been validated and verified against various reactor physics benchmarks and compares well to other state-of-the-art Monte Carlo radiation transport codes such as MCNP5, CE KENO-VI, and OpenMC. Somemore » specific benchmarks used for verification and validation include the CASL VERA criticality test suite and several Westinghouse AP1000 ® problems. These benchmark and scaling studies show promising results.« less

Design and optimization of a portable LQCD Monte Carlo code using OpenACC

NASA Astrophysics Data System (ADS)

Bonati, Claudio; Coscetti, Simone; D'Elia, Massimo; Mesiti, Michele; Negro, Francesco; Calore, Enrico; Schifano, Sebastiano Fabio; Silvi, Giorgio; Tripiccione, Raffaele

The present panorama of HPC architectures is extremely heterogeneous, ranging from traditional multi-core CPU processors, supporting a wide class of applications but delivering moderate computing performance, to many-core Graphics Processor Units (GPUs), exploiting aggressive data-parallelism and delivering higher performances for streaming computing applications. In this scenario, code portability (and performance portability) become necessary for easy maintainability of applications; this is very relevant in scientific computing where code changes are very frequent, making it tedious and prone to error to keep different code versions aligned. In this work, we present the design and optimization of a state-of-the-art production-level LQCD Monte Carlo application, using the directive-based OpenACC programming model. OpenACC abstracts parallel programming to a descriptive level, relieving programmers from specifying how codes should be mapped onto the target architecture. We describe the implementation of a code fully written in OpenAcc, and show that we are able to target several different architectures, including state-of-the-art traditional CPUs and GPUs, with the same code. We also measure performance, evaluating the computing efficiency of our OpenACC code on several architectures, comparing with GPU-specific implementations and showing that a good level of performance-portability can be reached.

Track structure in radiation biology: theory and applications.

PubMed

Nikjoo, H; Uehara, S; Wilson, W E; Hoshi, M; Goodhead, D T

1998-04-01

A brief review is presented of the basic concepts in track structure and the relative merit of various theoretical approaches adopted in Monte-Carlo track-structure codes are examined. In the second part of the paper, a formal cluster analysis is introduced to calculate cluster-distance distributions. Total experimental ionization cross-sections were least-square fitted and compared with the calculation by various theoretical methods. Monte-Carlo track-structure code Kurbuc was used to examine and compare the spectrum of the secondary electrons generated by using functions given by Born-Bethe, Jain-Khare, Gryzinsky, Kim-Rudd, Mott and Vriens' theories. The cluster analysis in track structure was carried out using the k-means method and Hartigan algorithm. Data are presented on experimental and calculated total ionization cross-sections: inverse mean free path (IMFP) as a function of electron energy used in Monte-Carlo track-structure codes; the spectrum of secondary electrons generated by different functions for 500 eV primary electrons; cluster analysis for 4 MeV and 20 MeV alpha-particles in terms of the frequency of total cluster energy to the root-mean-square (rms) radius of the cluster and differential distance distributions for a pair of clusters; and finally relative frequency distribution for energy deposited in DNA, single-strand break and double-strand breaks for 10MeV/u protons, alpha-particles and carbon ions. There are a number of Monte-Carlo track-structure codes that have been developed independently and the bench-marking presented in this paper allows a better choice of the theoretical method adopted in a track-structure code to be made. A systematic bench-marking of cross-sections and spectra of the secondary electrons shows differences between the codes at atomic level, but such differences are not significant in biophysical modelling at the macromolecular level. Clustered-damage evaluation shows: that a substantial proportion of dose ( 30%) is deposited by low-energy electrons; the majority of DNA damage lesions are of simple type; the complexity of damage increases with increased LET, while the total yield of strand breaks remains constant; and at high LET values nearly 70% of all double-strand breaks are of complex type.

Improved Convergence Rate of Multi-Group Scattering Moment Tallies for Monte Carlo Neutron Transport Codes

NASA Astrophysics Data System (ADS)

Nelson, Adam

Multi-group scattering moment matrices are critical to the solution of the multi-group form of the neutron transport equation, as they are responsible for describing the change in direction and energy of neutrons. These matrices, however, are difficult to correctly calculate from the measured nuclear data with both deterministic and stochastic methods. Calculating these parameters when using deterministic methods requires a set of assumptions which do not hold true in all conditions. These quantities can be calculated accurately with stochastic methods, however doing so is computationally expensive due to the poor efficiency of tallying scattering moment matrices. This work presents an improved method of obtaining multi-group scattering moment matrices from a Monte Carlo neutron transport code. This improved method of tallying the scattering moment matrices is based on recognizing that all of the outgoing particle information is known a priori and can be taken advantage of to increase the tallying efficiency (therefore reducing the uncertainty) of the stochastically integrated tallies. In this scheme, the complete outgoing probability distribution is tallied, supplying every one of the scattering moment matrices elements with its share of data. In addition to reducing the uncertainty, this method allows for the use of a track-length estimation process potentially offering even further improvement to the tallying efficiency. Unfortunately, to produce the needed distributions, the probability functions themselves must undergo an integration over the outgoing energy and scattering angle dimensions. This integration is too costly to perform during the Monte Carlo simulation itself and therefore must be performed in advance by way of a pre-processing code. The new method increases the information obtained from tally events and therefore has a significantly higher efficiency than the currently used techniques. The improved method has been implemented in a code system containing a new pre-processor code, NDPP, and a Monte Carlo neutron transport code, OpenMC. This method is then tested in a pin cell problem and a larger problem designed to accentuate the importance of scattering moment matrices. These tests show that accuracy was retained while the figure-of-merit for generating scattering moment matrices and fission energy spectra was significantly improved.

Modeling of the VIRTIS-M Observations of the Coma of Comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Fougere, Nicolas; Combi, Michael R.; Tenishev, Valeriy; Bieler, Andre; Migliorini, Alessandra; Piccioni, Giuseppe; Capaccioni, Fabrizio; Filacchione, Gianrico; Toth, Gabor; Huang, Zhenguang; Gombosi, Tamas; Hansen, Kenneth; Bockelee-Morvan, Dominique; Debout, Vincent; Erard, Stephane; Leyrat, Cedric; Fink, Uwe; Rubin, Martin; Altwegg, Kathrin; Tzou, Chia-Yu; Le Roy, Lena; Calmonte, Ursina; Berthelier, Jean-Jacques; Reme, Henri; Hassig, Myrtha; Fuselier, Stephen; Fiethe, Bjorn; De Keyser, Johan

2015-11-01

The recent images of the inner coma of 67P/Churyumov-Gerasimenko (CG) made by the infrared channel of the VIRTIS-M instrument on board the Rosetta spacecraft show the gas distribution as it expands in the coma (Migliorini et al. 2015, DPS abstract).Since VIRTIS is a remote sensing instrument, a proper modeling of these observations requires the computation of the full coma of comet CG, which necessitates the use of a kinetic approach due to the rather low gas densities. Hence, we apply a Direct Simulation Monde Carlo (DSMC) method to solve the Boltzmann equation and describe CG’s coma from the nucleus surface up to a few hundreds of kilometers. The model uses the SHAP5 nucleus shape model from the OSIRIS team. The gas flux distribution takes into account solar illumination, including self-shadowing. The local activity at the surface of the nucleus is given by spherical harmonics expansion reproducing best the ROSINA-DFMS data. The densities from the DSMC model outputs are then integrated along the line-of-sight to create synthetic images that are directly comparable with the VIRTIS-M column density measurements.The good agreement between the observations and the model illustrates our continuously improving understanding of the physics of the coma of comet CG.AcknowledgementsWork at UofM was supported by contracts JPL#1266313, JPL#1266314 and NASA grant NNX09AB59G. Work at UoB was funded by the State of Bern, the Swiss National Science Foundation and by the European Space Agency PRODEX Program. Work at Southwest Research institute was supported by subcontract #1496541 from the JPL. Work at BIRA-IASB was supported by the Belgian Science Policy Office via PRODEX/ROSINA PEA 90020. The authors would like to thank ASI, CNES, DLR, NASA for supporting this research. VIRTIS was built by a consortium formed by Italy, France and Germany, under the scientific responsibility of the IAPS of INAF, which guides also the scientific operations. The consortium includes also the LESIA of the Observatoire de Paris, and the Institut für Planetenforschung of DLR. The authors wish to thank the RSGS and the RMOC for their continuous support.

Review of Hybrid (Deterministic/Monte Carlo) Radiation Transport Methods, Codes, and Applications at Oak Ridge National Laboratory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wagner, John C; Peplow, Douglas E.; Mosher, Scott W

2011-01-01

This paper provides a review of the hybrid (Monte Carlo/deterministic) radiation transport methods and codes used at the Oak Ridge National Laboratory and examples of their application for increasing the efficiency of real-world, fixed-source Monte Carlo analyses. The two principal hybrid methods are (1) Consistent Adjoint Driven Importance Sampling (CADIS) for optimization of a localized detector (tally) region (e.g., flux, dose, or reaction rate at a particular location) and (2) Forward Weighted CADIS (FW-CADIS) for optimizing distributions (e.g., mesh tallies over all or part of the problem space) or multiple localized detector regions (e.g., simultaneous optimization of two or moremore » localized tally regions). The two methods have been implemented and automated in both the MAVRIC sequence of SCALE 6 and ADVANTG, a code that works with the MCNP code. As implemented, the methods utilize the results of approximate, fast-running 3-D discrete ordinates transport calculations (with the Denovo code) to generate consistent space- and energy-dependent source and transport (weight windows) biasing parameters. These methods and codes have been applied to many relevant and challenging problems, including calculations of PWR ex-core thermal detector response, dose rates throughout an entire PWR facility, site boundary dose from arrays of commercial spent fuel storage casks, radiation fields for criticality accident alarm system placement, and detector response for special nuclear material detection scenarios and nuclear well-logging tools. Substantial computational speed-ups, generally O(102-4), have been realized for all applications to date. This paper provides a brief review of the methods, their implementation, results of their application, and current development activities, as well as a considerable list of references for readers seeking more information about the methods and/or their applications.« less

Intercomparison of Monte Carlo radiation transport codes to model TEPC response in low-energy neutron and gamma-ray fields.

PubMed

Ali, F; Waker, A J; Waller, E J

2014-10-01

Tissue-equivalent proportional counters (TEPC) can potentially be used as a portable and personal dosemeter in mixed neutron and gamma-ray fields, but what hinders this use is their typically large physical size. To formulate compact TEPC designs, the use of a Monte Carlo transport code is necessary to predict the performance of compact designs in these fields. To perform this modelling, three candidate codes were assessed: MCNPX 2.7.E, FLUKA 2011.2 and PHITS 2.24. In each code, benchmark simulations were performed involving the irradiation of a 5-in. TEPC with monoenergetic neutron fields and a 4-in. wall-less TEPC with monoenergetic gamma-ray fields. The frequency and dose mean lineal energies and dose distributions calculated from each code were compared with experimentally determined data. For the neutron benchmark simulations, PHITS produces data closest to the experimental values and for the gamma-ray benchmark simulations, FLUKA yields data closest to the experimentally determined quantities. © The Author 2013. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Optimization of the Monte Carlo code for modeling of photon migration in tissue.

PubMed

Zołek, Norbert S; Liebert, Adam; Maniewski, Roman

2006-10-01

The Monte Carlo method is frequently used to simulate light transport in turbid media because of its simplicity and flexibility, allowing to analyze complicated geometrical structures. Monte Carlo simulations are, however, time consuming because of the necessity to track the paths of individual photons. The time consuming computation is mainly associated with the calculation of the logarithmic and trigonometric functions as well as the generation of pseudo-random numbers. In this paper, the Monte Carlo algorithm was developed and optimized, by approximation of the logarithmic and trigonometric functions. The approximations were based on polynomial and rational functions, and the errors of these approximations are less than 1% of the values of the original functions. The proposed algorithm was verified by simulations of the time-resolved reflectance at several source-detector separations. The results of the calculation using the approximated algorithm were compared with those of the Monte Carlo simulations obtained with an exact computation of the logarithm and trigonometric functions as well as with the solution of the diffusion equation. The errors of the moments of the simulated distributions of times of flight of photons (total number of photons, mean time of flight and variance) are less than 2% for a range of optical properties, typical of living tissues. The proposed approximated algorithm allows to speed up the Monte Carlo simulations by a factor of 4. The developed code can be used on parallel machines, allowing for further acceleration.

Verification of unfold error estimates in the UFO code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fehl, D.L.; Biggs, F.

Spectral unfolding is an inverse mathematical operation which attempts to obtain spectral source information from a set of tabulated response functions and data measurements. Several unfold algorithms have appeared over the past 30 years; among them is the UFO (UnFold Operator) code. In addition to an unfolded spectrum, UFO also estimates the unfold uncertainty (error) induced by running the code in a Monte Carlo fashion with prescribed data distributions (Gaussian deviates). In the problem studied, data were simulated from an arbitrarily chosen blackbody spectrum (10 keV) and a set of overlapping response functions. The data were assumed to have anmore » imprecision of 5% (standard deviation). 100 random data sets were generated. The built-in estimate of unfold uncertainty agreed with the Monte Carlo estimate to within the statistical resolution of this relatively small sample size (95% confidence level). A possible 10% bias between the two methods was unresolved. The Monte Carlo technique is also useful in underdetemined problems, for which the error matrix method does not apply. UFO has been applied to the diagnosis of low energy x rays emitted by Z-Pinch and ion-beam driven hohlraums.« less

Monte Carlo track structure for radiation biology and space applications

NASA Technical Reports Server (NTRS)

Nikjoo, H.; Uehara, S.; Khvostunov, I. G.; Cucinotta, F. A.; Wilson, W. E.; Goodhead, D. T.

2001-01-01

Over the past two decades event by event Monte Carlo track structure codes have increasingly been used for biophysical modelling and radiotherapy. Advent of these codes has helped to shed light on many aspects of microdosimetry and mechanism of damage by ionising radiation in the cell. These codes have continuously been modified to include new improved cross sections and computational techniques. This paper provides a summary of input data for ionizations, excitations and elastic scattering cross sections for event by event Monte Carlo track structure simulations for electrons and ions in the form of parametric equations, which makes it easy to reproduce the data. Stopping power and radial distribution of dose are presented for ions and compared with experimental data. A model is described for simulation of full slowing down of proton tracks in water in the range 1 keV to 1 MeV. Modelling and calculations are presented for the response of a TEPC proportional counter irradiated with 5 MeV alpha-particles. Distributions are presented for the wall and wall-less counters. Data shows contribution of indirect effects to the lineal energy distribution for the wall counters responses even at such a low ion energy.

Three-dimensional particle simulation of back-sputtered carbon in electric propulsion test facility

NASA Astrophysics Data System (ADS)

Zheng, Hongru; Cai, Guobiao; Liu, Lihui; Shang, Shengfei; He, Bijiao

2017-03-01

The back-sputtering deposition on thruster surface caused by ion bombardment on chamber wall material affects the performance of thrusters during the ground based electric propulsion endurance tests. In order to decrease the back-sputtering deposition, most of vacuum chambers applied in electric propulsion experiments are equipped with anti-sputtering targets. In this paper, a three-dimensional model of plume experimental system (PES) including double layer anti-sputtering target is established. Simulation cases are made to simulate the plasma environment and sputtering effects when an ion thruster is working. The particle in cell (PIC) method and direct simulation Monte Carlo (DSMC) method is used to calculate the velocity and position of particles. Yamamura's model is used to simulate the sputtering process. The distribution of sputtered anti-sputtering target material is presented. The results show that the double layer anti-sputtering target can significantly reduce the deposition on thruster surface. The back-sputtering deposition rates on thruster exit surface for different cases are compared. The chevrons on the secondary target are rearranged to improve its performance. The position of secondary target has relation with the ion beam divergence angle, and the radius of the vacuum chamber. The back-sputtering deposition rate is lower when the secondary target covers the entire ion beam.

Uncertainty quantification analysis of the dynamics of an electrostatically actuated microelectromechanical switch model

NASA Astrophysics Data System (ADS)

Snow, Michael G.; Bajaj, Anil K.

2015-08-01

This work presents an uncertainty quantification (UQ) analysis of a comprehensive model for an electrostatically actuated microelectromechanical system (MEMS) switch. The goal is to elucidate the effects of parameter variations on certain key performance characteristics of the switch. A sufficiently detailed model of the electrostatically actuated switch in the basic configuration of a clamped-clamped beam is developed. This multi-physics model accounts for various physical effects, including the electrostatic fringing field, finite length of electrodes, squeeze film damping, and contact between the beam and the dielectric layer. The performance characteristics of immediate interest are the static and dynamic pull-in voltages for the switch. Numerical approaches for evaluating these characteristics are developed and described. Using Latin Hypercube Sampling and other sampling methods, the model is evaluated to find these performance characteristics when variability in the model's geometric and physical parameters is specified. Response surfaces of these results are constructed via a Multivariate Adaptive Regression Splines (MARS) technique. Using a Direct Simulation Monte Carlo (DSMC) technique on these response surfaces gives smooth probability density functions (PDFs) of the outputs characteristics when input probability characteristics are specified. The relative variation in the two pull-in voltages due to each of the input parameters is used to determine the critical parameters.

Validation of a Monte Carlo code system for grid evaluation with interference effect on Rayleigh scattering

NASA Astrophysics Data System (ADS)

Zhou, Abel; White, Graeme L.; Davidson, Rob

2018-02-01

Anti-scatter grids are commonly used in x-ray imaging systems to reduce scatter radiation reaching the image receptor. Anti-scatter grid performance and validation can be simulated through use of Monte Carlo (MC) methods. Our recently reported work has modified existing MC codes resulting in improved performance when simulating x-ray imaging. The aim of this work is to validate the transmission of x-ray photons in grids from the recently reported new MC codes against experimental results and results previously reported in other literature. The results of this work show that the scatter-to-primary ratio (SPR), the transmissions of primary (T p), scatter (T s), and total (T t) radiation determined using this new MC code system have strong agreement with the experimental results and the results reported in the literature. T p, T s, T t, and SPR determined in this new MC simulation code system are valid. These results also show that the interference effect on Rayleigh scattering should not be neglected in both mammographic and general grids’ evaluation. Our new MC simulation code system has been shown to be valid and can be used for analysing and evaluating the designs of grids.

Monte Carlo calculations of initial energies of electrons in water irradiated by photons with energies up to 1GeV.

PubMed

Todo, A S; Hiromoto, G; Turner, J E; Hamm, R N; Wright, H A

1982-12-01

Previous calculations of the initial energies of electrons produced in water irradiated by photons are extended to 1 GeV by including pair and triplet production. Calculations were performed with the Monte Carlo computer code PHOEL-3, which replaces the earlier code, PHOEL-2. Tables of initial electron energies are presented for single interactions of monoenergetic photons at a number of energies from 10 keV to 1 GeV. These tables can be used to compute kerma in water irradiated by photons with arbitrary energy spectra to 1 GeV. In addition, separate tables of Compton-and pair-electron spectra are given over this energy range. The code PHOEL-3 is available from the Radiation Shielding Information Center, Oak Ridge National Laboratory, Oak Ridge, TN 37830.

A 3DHZETRN Code in a Spherical Uniform Sphere with Monte Carlo Verification

NASA Technical Reports Server (NTRS)

Wilson, John W.; Slaba, Tony C.; Badavi, Francis F.; Reddell, Brandon D.; Bahadori, Amir A.

2014-01-01

The computationally efficient HZETRN code has been used in recent trade studies for lunar and Martian exploration and is currently being used in the engineering development of the next generation of space vehicles, habitats, and extra vehicular activity equipment. A new version (3DHZETRN) capable of transporting High charge (Z) and Energy (HZE) and light ions (including neutrons) under space-like boundary conditions with enhanced neutron and light ion propagation is under development. In the present report, new algorithms for light ion and neutron propagation with well-defined convergence criteria in 3D objects is developed and tested against Monte Carlo simulations to verify the solution methodology. The code will be available through the software system, OLTARIS, for shield design and validation and provides a basis for personal computer software capable of space shield analysis and optimization.

Kinetic Monte Carlo simulation of dopant-defect systems under submicrosecond laser thermal processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fisicaro, G.; Pelaz, Lourdes; Lopez, P.

2012-11-06

An innovative Kinetic Monte Carlo (KMC) code has been developed, which rules the post-implant kinetics of the defects system in the extremely far-from-the equilibrium conditions caused by the laser irradiation close to the liquid-solid interface. It considers defect diffusion, annihilation and clustering. The code properly implements, consistently to the stochastic formalism, the fast varying local event rates related to the thermal field T(r,t) evolution. This feature of our numerical method represents an important advancement with respect to current state of the art KMC codes. The reduction of the implantation damage and its reorganization in defect aggregates are studied as amore » function of the process conditions. Phosphorus activation efficiency, experimentally determined in similar conditions, has been related to the emerging damage scenario.« less

DNA strand breaks induced by electrons simulated with Nanodosimetry Monte Carlo Simulation Code: NASIC.

PubMed

Li, Junli; Li, Chunyan; Qiu, Rui; Yan, Congchong; Xie, Wenzhang; Wu, Zhen; Zeng, Zhi; Tung, Chuanjong

2015-09-01

The method of Monte Carlo simulation is a powerful tool to investigate the details of radiation biological damage at the molecular level. In this paper, a Monte Carlo code called NASIC (Nanodosimetry Monte Carlo Simulation Code) was developed. It includes physical module, pre-chemical module, chemical module, geometric module and DNA damage module. The physical module can simulate physical tracks of low-energy electrons in the liquid water event-by-event. More than one set of inelastic cross sections were calculated by applying the dielectric function method of Emfietzoglou's optical-data treatments, with different optical data sets and dispersion models. In the pre-chemical module, the ionised and excited water molecules undergo dissociation processes. In the chemical module, the produced radiolytic chemical species diffuse and react. In the geometric module, an atomic model of 46 chromatin fibres in a spherical nucleus of human lymphocyte was established. In the DNA damage module, the direct damages induced by the energy depositions of the electrons and the indirect damages induced by the radiolytic chemical species were calculated. The parameters should be adjusted to make the simulation results be agreed with the experimental results. In this paper, the influence study of the inelastic cross sections and vibrational excitation reaction on the parameters and the DNA strand break yields were studied. Further work of NASIC is underway. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Testing of Error-Correcting Sparse Permutation Channel Codes

NASA Technical Reports Server (NTRS)

Shcheglov, Kirill, V.; Orlov, Sergei S.

2008-01-01

A computer program performs Monte Carlo direct numerical simulations for testing sparse permutation channel codes, which offer strong error-correction capabilities at high code rates and are considered especially suitable for storage of digital data in holographic and volume memories. A word in a code of this type is characterized by, among other things, a sparseness parameter (M) and a fixed number (K) of 1 or "on" bits in a channel block length of N.

Mesh-based Monte Carlo code for fluorescence modeling in complex tissues with irregular boundaries

NASA Astrophysics Data System (ADS)

Wilson, Robert H.; Chen, Leng-Chun; Lloyd, William; Kuo, Shiuhyang; Marcelo, Cynthia; Feinberg, Stephen E.; Mycek, Mary-Ann

2011-07-01

There is a growing need for the development of computational models that can account for complex tissue morphology in simulations of photon propagation. We describe the development and validation of a user-friendly, MATLAB-based Monte Carlo code that uses analytically-defined surface meshes to model heterogeneous tissue geometry. The code can use information from non-linear optical microscopy images to discriminate the fluorescence photons (from endogenous or exogenous fluorophores) detected from different layers of complex turbid media. We present a specific application of modeling a layered human tissue-engineered construct (Ex Vivo Produced Oral Mucosa Equivalent, EVPOME) designed for use in repair of oral tissue following surgery. Second-harmonic generation microscopic imaging of an EVPOME construct (oral keratinocytes atop a scaffold coated with human type IV collagen) was employed to determine an approximate analytical expression for the complex shape of the interface between the two layers. This expression can then be inserted into the code to correct the simulated fluorescence for the effect of the irregular tissue geometry.

Comparison of EGS4 and MCNP Monte Carlo codes when calculating radiotherapy depth doses.

PubMed

Love, P A; Lewis, D G; Al-Affan, I A; Smith, C W

1998-05-01

The Monte Carlo codes EGS4 and MCNP have been compared when calculating radiotherapy depth doses in water. The aims of the work were to study (i) the differences between calculated depth doses in water for a range of monoenergetic photon energies and (ii) the relative efficiency of the two codes for different electron transport energy cut-offs. The depth doses from the two codes agree with each other within the statistical uncertainties of the calculations (1-2%). The relative depth doses also agree with data tabulated in the British Journal of Radiology Supplement 25. A discrepancy in the dose build-up region may by attributed to the different electron transport algorithims used by EGS4 and MCNP. This discrepancy is considerably reduced when the improved electron transport routines are used in the latest (4B) version of MCNP. Timing calculations show that EGS4 is at least 50% faster than MCNP for the geometries used in the simulations.

Three-dimensional Monte-Carlo simulation of gamma-ray scattering and production in the atmosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morris, D.J.

1989-05-15

Monte Carlo codes have been developed to simulate gamma-ray scattering and production in the atmosphere. The scattering code simulates interactions of low-energy gamma rays (20 to several hundred keV) from an astronomical point source in the atmosphere; a modified code also simulates scattering in a spacecraft. Four incident spectra, typical of gamma-ray bursts, solar flares, and the Crab pulsar, and 511 keV line radiation have been studied. These simulations are consistent with observations of solar flare radiation scattered from the atmosphere. The production code simulates the interactions of cosmic rays which produce high-energy (above 10 MeV) photons and electrons. Itmore » has been used to calculate gamma-ray and electron albedo intensities at Palestine, Texas and at the equator; the results agree with observations in most respects. With minor modifications this code can be used to calculate intensities of other high-energy particles. Both codes are fully three-dimensional, incorporating a curved atmosphere; the production code also incorporates the variation with both zenith and azimuth of the incident cosmic-ray intensity due to geomagnetic effects. These effects are clearly reflected in the calculated albedo by intensity contrasts between the horizon and nadir, and between the east and west horizons.« less

Overview of Recent Radiation Transport Code Comparisons for Space Applications

NASA Astrophysics Data System (ADS)

Townsend, Lawrence

Recent advances in radiation transport code development for space applications have resulted in various comparisons of code predictions for a variety of scenarios and codes. Comparisons among both Monte Carlo and deterministic codes have been made and published by vari-ous groups and collaborations, including comparisons involving, but not limited to HZETRN, HETC-HEDS, FLUKA, GEANT, PHITS, and MCNPX. In this work, an overview of recent code prediction inter-comparisons, including comparisons to available experimental data, is presented and discussed, with emphases on those areas of agreement and disagreement among the various code predictions and published data.

Metis: A Pure Metropolis Markov Chain Monte Carlo Bayesian Inference Library

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bates, Cameron Russell; Mckigney, Edward Allen

The use of Bayesian inference in data analysis has become the standard for large scienti c experiments [1, 2]. The Monte Carlo Codes Group(XCP-3) at Los Alamos has developed a simple set of algorithms currently implemented in C++ and Python to easily perform at-prior Markov Chain Monte Carlo Bayesian inference with pure Metropolis sampling. These implementations are designed to be user friendly and extensible for customization based on speci c application requirements. This document describes the algorithmic choices made and presents two use cases.

Monte Carlo simulation of Ising models by multispin coding on a vector computer

NASA Astrophysics Data System (ADS)

Wansleben, Stephan; Zabolitzky, John G.; Kalle, Claus

1984-11-01

Rebbi's efficient multispin coding algorithm for Ising models is combined with the use of the vector computer CDC Cyber 205. A speed of 21.2 million updates per second is reached. This is comparable to that obtained by special- purpose computers.

Radiation Transport Tools for Space Applications: A Review

NASA Technical Reports Server (NTRS)

Jun, Insoo; Evans, Robin; Cherng, Michael; Kang, Shawn

2008-01-01

This slide presentation contains a brief discussion of nuclear transport codes widely used in the space radiation community for shielding and scientific analyses. Seven radiation transport codes that are addressed. The two general methods (i.e., Monte Carlo Method, and the Deterministic Method) are briefly reviewed.

Use of single scatter electron monte carlo transport for medical radiation sciences

DOEpatents

Svatos, Michelle M.

2001-01-01

The single scatter Monte Carlo code CREEP models precise microscopic interactions of electrons with matter to enhance physical understanding of radiation sciences. It is designed to simulate electrons in any medium, including materials important for biological studies. It simulates each interaction individually by sampling from a library which contains accurate information over a broad range of energies.

Stochastic Analysis of Orbital Lifetimes of Spacecraft

NASA Technical Reports Server (NTRS)

Sasamoto, Washito; Goodliff, Kandyce; Cornelius, David

2008-01-01

A document discusses (1) a Monte-Carlo-based methodology for probabilistic prediction and analysis of orbital lifetimes of spacecraft and (2) Orbital Lifetime Monte Carlo (OLMC)--a Fortran computer program, consisting of a previously developed long-term orbit-propagator integrated with a Monte Carlo engine. OLMC enables modeling of variances of key physical parameters that affect orbital lifetimes through the use of probability distributions. These parameters include altitude, speed, and flight-path angle at insertion into orbit; solar flux; and launch delays. The products of OLMC are predicted lifetimes (durations above specified minimum altitudes) for the number of user-specified cases. Histograms generated from such predictions can be used to determine the probabilities that spacecraft will satisfy lifetime requirements. The document discusses uncertainties that affect modeling of orbital lifetimes. Issues of repeatability, smoothness of distributions, and code run time are considered for the purpose of establishing values of code-specific parameters and number of Monte Carlo runs. Results from test cases are interpreted as demonstrating that solar-flux predictions are primary sources of variations in predicted lifetimes. Therefore, it is concluded, multiple sets of predictions should be utilized to fully characterize the lifetime range of a spacecraft.

Accelerating Monte Carlo simulations of photon transport in a voxelized geometry using a massively parallel graphics processing unit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Badal, Andreu; Badano, Aldo

Purpose: It is a known fact that Monte Carlo simulations of radiation transport are computationally intensive and may require long computing times. The authors introduce a new paradigm for the acceleration of Monte Carlo simulations: The use of a graphics processing unit (GPU) as the main computing device instead of a central processing unit (CPU). Methods: A GPU-based Monte Carlo code that simulates photon transport in a voxelized geometry with the accurate physics models from PENELOPE has been developed using the CUDA programming model (NVIDIA Corporation, Santa Clara, CA). Results: An outline of the new code and a sample x-raymore » imaging simulation with an anthropomorphic phantom are presented. A remarkable 27-fold speed up factor was obtained using a GPU compared to a single core CPU. Conclusions: The reported results show that GPUs are currently a good alternative to CPUs for the simulation of radiation transport. Since the performance of GPUs is currently increasing at a faster pace than that of CPUs, the advantages of GPU-based software are likely to be more pronounced in the future.« less

Monte Carlo method for calculating the radiation skyshine produced by electron accelerators

NASA Astrophysics Data System (ADS)

Kong, Chaocheng; Li, Quanfeng; Chen, Huaibi; Du, Taibin; Cheng, Cheng; Tang, Chuanxiang; Zhu, Li; Zhang, Hui; Pei, Zhigang; Ming, Shenjin

2005-06-01

Using the MCNP4C Monte Carlo code, the X-ray skyshine produced by 9 MeV, 15 MeV and 21 MeV electron linear accelerators were calculated respectively with a new two-step method combined with the split and roulette variance reduction technique. Results of the Monte Carlo simulation, the empirical formulas used for skyshine calculation and the dose measurements were analyzed and compared. In conclusion, the skyshine dose measurements agreed reasonably with the results computed by the Monte Carlo method, but deviated from computational results given by empirical formulas. The effect on skyshine dose caused by different structures of accelerator head is also discussed in this paper.

Use of the ETA-1 reactor for the validation of the multi-group APOLLO2-MORET 5 code and the Monte Carlo continuous energy MORET 5 code

NASA Astrophysics Data System (ADS)

Leclaire, N.; Cochet, B.; Le Dauphin, F. X.; Haeck, W.; Jacquet, O.

2014-06-01

The present paper aims at providing experimental validation for the use of the MORET 5 code for advanced concepts of reactor involving thorium and heavy water. It therefore constitutes an opportunity to test and improve the thermal-scattering data of heavy water and also to test the recent implementation of probability tables in the MORET 5 code.

A Monte Carlo Code for Relativistic Radiation Transport Around Kerr Black Holes

NASA Technical Reports Server (NTRS)

Schnittman, Jeremy David; Krolik, Julian H.

2013-01-01

We present a new code for radiation transport around Kerr black holes, including arbitrary emission and absorption mechanisms, as well as electron scattering and polarization. The code is particularly useful for analyzing accretion flows made up of optically thick disks and optically thin coronae. We give a detailed description of the methods employed in the code and also present results from a number of numerical tests to assess its accuracy and convergence.

Performance analysis of a parallel Monte Carlo code for simulating solar radiative transfer in cloudy atmospheres using CUDA-enabled NVIDIA GPU

NASA Astrophysics Data System (ADS)

Russkova, Tatiana V.

2017-11-01

One tool to improve the performance of Monte Carlo methods for numerical simulation of light transport in the Earth's atmosphere is the parallel technology. A new algorithm oriented to parallel execution on the CUDA-enabled NVIDIA graphics processor is discussed. The efficiency of parallelization is analyzed on the basis of calculating the upward and downward fluxes of solar radiation in both a vertically homogeneous and inhomogeneous models of the atmosphere. The results of testing the new code under various atmospheric conditions including continuous singlelayered and multilayered clouds, and selective molecular absorption are presented. The results of testing the code using video cards with different compute capability are analyzed. It is shown that the changeover of computing from conventional PCs to the architecture of graphics processors gives more than a hundredfold increase in performance and fully reveals the capabilities of the technology used.

Monte Carlo simulations in Nuclear Medicine

NASA Astrophysics Data System (ADS)

Loudos, George K.

2007-11-01

Molecular imaging technologies provide unique abilities to localise signs of disease before symptoms appear, assist in drug testing, optimize and personalize therapy, and assess the efficacy of treatment regimes for different types of cancer. Monte Carlo simulation packages are used as an important tool for the optimal design of detector systems. In addition they have demonstrated potential to improve image quality and acquisition protocols. Many general purpose (MCNP, Geant4, etc) or dedicated codes (SimSET etc) have been developed aiming to provide accurate and fast results. Special emphasis will be given to GATE toolkit. The GATE code currently under development by the OpenGATE collaboration is the most accurate and promising code for performing realistic simulations. The purpose of this article is to introduce the non expert reader to the current status of MC simulations in nuclear medicine and briefly provide examples of current simulated systems, and present future challenges that include simulation of clinical studies and dosimetry applications.

Molecular dynamics and dynamic Monte-Carlo simulation of irradiation damage with focused ion beams

NASA Astrophysics Data System (ADS)

Ohya, Kaoru

2017-03-01

The focused ion beam (FIB) has become an important tool for micro- and nanostructuring of samples such as milling, deposition and imaging. However, this leads to damage of the surface on the nanometer scale from implanted projectile ions and recoiled material atoms. It is therefore important to investigate each kind of damage quantitatively. We present a dynamic Monte-Carlo (MC) simulation code to simulate the morphological and compositional changes of a multilayered sample under ion irradiation and a molecular dynamics (MD) simulation code to simulate dose-dependent changes in the backscattering-ion (BSI)/secondary-electron (SE) yields of a crystalline sample. Recent progress in the codes for research to simulate the surface morphology and Mo/Si layers intermixing in an EUV lithography mask irradiated with FIBs, and the crystalline orientation effect on BSI and SE yields relating to the channeling contrast in scanning ion microscopes, is also presented.

Implementation and verification of nuclear interactions in a Monte-Carlo code for the Procom-ProGam proton therapy planning system

NASA Astrophysics Data System (ADS)

Kostyuchenko, V. I.; Makarova, A. S.; Ryazantsev, O. B.; Samarin, S. I.; Uglov, A. S.

2014-06-01

A great breakthrough in proton therapy has happened in the new century: several tens of dedicated centers are now operated throughout the world and their number increases every year. An important component of proton therapy is a treatment planning system. To make calculations faster, these systems usually use analytical methods whose reliability and accuracy do not allow the advantages of this method of treatment to implement to the full extent. Predictions by the Monte Carlo (MC) method are a "gold" standard for the verification of calculations with these systems. At the Institute of Experimental and Theoretical Physics (ITEP) which is one of the eldest proton therapy centers in the world, an MC code is an integral part of their treatment planning system. This code which is called IThMC was developed by scientists from RFNC-VNIITF (Snezhinsk) under ISTC Project 3563.

Parallelization of KENO-Va Monte Carlo code

NASA Astrophysics Data System (ADS)

Ramón, Javier; Peña, Jorge

1995-07-01

KENO-Va is a code integrated within the SCALE system developed by Oak Ridge that solves the transport equation through the Monte Carlo Method. It is being used at the Consejo de Seguridad Nuclear (CSN) to perform criticality calculations for fuel storage pools and shipping casks. Two parallel versions of the code: one for shared memory machines and other for distributed memory systems using the message-passing interface PVM have been generated. In both versions the neutrons of each generation are tracked in parallel. In order to preserve the reproducibility of the results in both versions, advanced seeds for random numbers were used. The CONVEX C3440 with four processors and shared memory at CSN was used to implement the shared memory version. A FDDI network of 6 HP9000/735 was employed to implement the message-passing version using proprietary PVM. The speedup obtained was 3.6 in both cases.

Portable multi-node LQCD Monte Carlo simulations using OpenACC

NASA Astrophysics Data System (ADS)

Bonati, Claudio; Calore, Enrico; D'Elia, Massimo; Mesiti, Michele; Negro, Francesco; Sanfilippo, Francesco; Schifano, Sebastiano Fabio; Silvi, Giorgio; Tripiccione, Raffaele

This paper describes a state-of-the-art parallel Lattice QCD Monte Carlo code for staggered fermions, purposely designed to be portable across different computer architectures, including GPUs and commodity CPUs. Portability is achieved using the OpenACC parallel programming model, used to develop a code that can be compiled for several processor architectures. The paper focuses on parallelization on multiple computing nodes using OpenACC to manage parallelism within the node, and OpenMPI to manage parallelism among the nodes. We first discuss the available strategies to be adopted to maximize performances, we then describe selected relevant details of the code, and finally measure the level of performance and scaling-performance that we are able to achieve. The work focuses mainly on GPUs, which offer a significantly high level of performances for this application, but also compares with results measured on other processors.

Experimental measurements with Monte Carlo corrections and theoretical calculations of neutron inelastic scattering cross section of 115In

NASA Astrophysics Data System (ADS)

Wang, Chao; Xiao, Jun; Luo, Xiaobing

2016-10-01

The neutron inelastic scattering cross section of 115In has been measured by the activation technique at neutron energies of 2.95, 3.94, and 5.24 MeV with the neutron capture cross sections of 197Au as an internal standard. The effects of multiple scattering and flux attenuation were corrected using the Monte Carlo code GEANT4. Based on the experimental values, the 115In neutron inelastic scattering cross sections data were theoretically calculated between the 1 and 15 MeV with the TALYS software code, the theoretical results of this study are in reasonable agreement with the available experimental results.

Track-structure simulations for charged particles.

PubMed

Dingfelder, Michael

2012-11-01

Monte Carlo track-structure simulations provide a detailed and accurate picture of radiation transport of charged particles through condensed matter of biological interest. Liquid water serves as a surrogate for soft tissue and is used in most Monte Carlo track-structure codes. Basic theories of radiation transport and track-structure simulations are discussed and differences compared to condensed history codes highlighted. Interaction cross sections for electrons, protons, alpha particles, and light and heavy ions are required input data for track-structure simulations. Different calculation methods, including the plane-wave Born approximation, the dielectric theory, and semi-empirical approaches are presented using liquid water as a target. Low-energy electron transport and light ion transport are discussed as areas of special interest.

Coupled reactors analysis: New needs and advances using Monte Carlo methodology

DOE PAGES

Aufiero, M.; Palmiotti, G.; Salvatores, M.; ...

2016-08-20

Coupled reactors and the coupling features of large or heterogeneous core reactors can be investigated with the Avery theory that allows a physics understanding of the main features of these systems. However, the complex geometries that are often encountered in association with coupled reactors, require a detailed geometry description that can be easily provided by modern Monte Carlo (MC) codes. This implies a MC calculation of the coupling parameters defined by Avery and of the sensitivity coefficients that allow further detailed physics analysis. The results presented in this paper show that the MC code SERPENT has been successfully modifed tomore » meet the required capabilities.« less

PBMC: Pre-conditioned Backward Monte Carlo code for radiative transport in planetary atmospheres

NASA Astrophysics Data System (ADS)

García Muñoz, A.; Mills, F. P.

2017-08-01

PBMC (Pre-Conditioned Backward Monte Carlo) solves the vector Radiative Transport Equation (vRTE) and can be applied to planetary atmospheres irradiated from above. The code builds the solution by simulating the photon trajectories from the detector towards the radiation source, i.e. in the reverse order of the actual photon displacements. In accounting for the polarization in the sampling of photon propagation directions and pre-conditioning the scattering matrix with information from the scattering matrices of prior (in the BMC integration order) photon collisions, PBMC avoids the unstable and biased solutions of classical BMC algorithms for conservative, optically-thick, strongly-polarizing media such as Rayleigh atmospheres.

Neutron Deep Penetration Calculations in Light Water with Monte Carlo TRIPOLI-4® Variance Reduction Techniques

NASA Astrophysics Data System (ADS)

Lee, Yi-Kang

2017-09-01

Nuclear decommissioning takes place in several stages due to the radioactivity in the reactor structure materials. A good estimation of the neutron activation products distributed in the reactor structure materials impacts obviously on the decommissioning planning and the low-level radioactive waste management. Continuous energy Monte-Carlo radiation transport code TRIPOLI-4 has been applied on radiation protection and shielding analyses. To enhance the TRIPOLI-4 application in nuclear decommissioning activities, both experimental and computational benchmarks are being performed. To calculate the neutron activation of the shielding and structure materials of nuclear facilities, the knowledge of 3D neutron flux map and energy spectra must be first investigated. To perform this type of neutron deep penetration calculations with the Monte Carlo transport code, variance reduction techniques are necessary in order to reduce the uncertainty of the neutron activation estimation. In this study, variance reduction options of the TRIPOLI-4 code were used on the NAIADE 1 light water shielding benchmark. This benchmark document is available from the OECD/NEA SINBAD shielding benchmark database. From this benchmark database, a simplified NAIADE 1 water shielding model was first proposed in this work in order to make the code validation easier. Determination of the fission neutron transport was performed in light water for penetration up to 50 cm for fast neutrons and up to about 180 cm for thermal neutrons. Measurement and calculation results were benchmarked. Variance reduction options and their performance were discussed and compared.

Verification of unfold error estimates in the unfold operator code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fehl, D.L.; Biggs, F.

Spectral unfolding is an inverse mathematical operation that attempts to obtain spectral source information from a set of response functions and data measurements. Several unfold algorithms have appeared over the past 30 years; among them is the unfold operator (UFO) code written at Sandia National Laboratories. In addition to an unfolded spectrum, the UFO code also estimates the unfold uncertainty (error) induced by estimated random uncertainties in the data. In UFO the unfold uncertainty is obtained from the error matrix. This built-in estimate has now been compared to error estimates obtained by running the code in a Monte Carlo fashionmore » with prescribed data distributions (Gaussian deviates). In the test problem studied, data were simulated from an arbitrarily chosen blackbody spectrum (10 keV) and a set of overlapping response functions. The data were assumed to have an imprecision of 5{percent} (standard deviation). One hundred random data sets were generated. The built-in estimate of unfold uncertainty agreed with the Monte Carlo estimate to within the statistical resolution of this relatively small sample size (95{percent} confidence level). A possible 10{percent} bias between the two methods was unresolved. The Monte Carlo technique is also useful in underdetermined problems, for which the error matrix method does not apply. UFO has been applied to the diagnosis of low energy x rays emitted by Z-pinch and ion-beam driven hohlraums. {copyright} {ital 1997 American Institute of Physics.}« less

ITS version 5.0 : the integrated TIGER series of coupled electron/photon Monte Carlo transport codes.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Franke, Brian Claude; Kensek, Ronald Patrick; Laub, Thomas William

ITS is a powerful and user-friendly software package permitting state of the art Monte Carlo solution of linear time-independent couple electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields of arbitrary spatial dependence. Our goal has been to simultaneously maximize operational simplicity and physical accuracy. Through a set of preprocessor directives, the user selects one of the many ITS codes. The ease with which the makefile system is applied combines with an input scheme based on order-independent descriptive keywords that makes maximum use of defaults and internal error checking to provide experimentalists and theoristsmore » alike with a method for the routine but rigorous solution of sophisticated radiation transport problems. Physical rigor is provided by employing accurate cross sections, sampling distributions, and physical models for describing the production and transport of the electron/photon cascade from 1.0 GeV down to 1.0 keV. The availability of source code permits the more sophisticated user to tailor the codes to specific applications and to extend the capabilities of the codes to more complex applications. Version 5.0, the latest version of ITS, contains (1) improvements to the ITS 3.0 continuous-energy codes, (2)multigroup codes with adjoint transport capabilities, and (3) parallel implementations of all ITS codes. Moreover the general user friendliness of the software has been enhanced through increased internal error checking and improved code portability.« less

Nuclear reaction measurements on tissue-equivalent materials and GEANT4 Monte Carlo simulations for hadrontherapy

NASA Astrophysics Data System (ADS)

De Napoli, M.; Romano, F.; D'Urso, D.; Licciardello, T.; Agodi, C.; Candiano, G.; Cappuzzello, F.; Cirrone, G. A. P.; Cuttone, G.; Musumarra, A.; Pandola, L.; Scuderi, V.

2014-12-01

When a carbon beam interacts with human tissues, many secondary fragments are produced into the tumor region and the surrounding healthy tissues. Therefore, in hadrontherapy precise dose calculations require Monte Carlo tools equipped with complex nuclear reaction models. To get realistic predictions, however, simulation codes must be validated against experimental results; the wider the dataset is, the more the models are finely tuned. Since no fragmentation data for tissue-equivalent materials at Fermi energies are available in literature, we measured secondary fragments produced by the interaction of a 55.6 MeV u-1 12C beam with thick muscle and cortical bone targets. Three reaction models used by the Geant4 Monte Carlo code, the Binary Light Ions Cascade, the Quantum Molecular Dynamic and the Liege Intranuclear Cascade, have been benchmarked against the collected data. In this work we present the experimental results and we discuss the predictive power of the above mentioned models.

Comparison of UWCC MOX fuel measurements to MCNP-REN calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abhold, M.; Baker, M.; Jie, R.

1998-12-31

The development of neutron coincidence counting has greatly improved the accuracy and versatility of neutron-based techniques to assay fissile materials. Today, the shift register analyzer connected to either a passive or active neutron detector is widely used by both domestic and international safeguards organizations. The continued development of these techniques and detectors makes extensive use of the predictions of detector response through the use of Monte Carlo techniques in conjunction with the point reactor model. Unfortunately, the point reactor model, as it is currently used, fails to accurately predict detector response in highly multiplying mediums such as mixed-oxide (MOX) lightmore » water reactor fuel assemblies. For this reason, efforts have been made to modify the currently used Monte Carlo codes and to develop new analytical methods so that this model is not required to predict detector response. The authors describe their efforts to modify a widely used Monte Carlo code for this purpose and also compare calculational results with experimental measurements.« less

Coupled Monte Carlo neutronics and thermal hydraulics for power reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernnat, W.; Buck, M.; Mattes, M.

The availability of high performance computing resources enables more and more the use of detailed Monte Carlo models even for full core power reactors. The detailed structure of the core can be described by lattices, modeled by so-called repeated structures e.g. in Monte Carlo codes such as MCNP5 or MCNPX. For cores with mainly uniform material compositions, fuel and moderator temperatures, there is no problem in constructing core models. However, when the material composition and the temperatures vary strongly a huge number of different material cells must be described which complicate the input and in many cases exceed code ormore » memory limits. The second problem arises with the preparation of corresponding temperature dependent cross sections and thermal scattering laws. Only if these problems can be solved, a realistic coupling of Monte Carlo neutronics with an appropriate thermal-hydraulics model is possible. In this paper a method for the treatment of detailed material and temperature distributions in MCNP5 is described based on user-specified internal functions which assign distinct elements of the core cells to material specifications (e.g. water density) and temperatures from a thermal-hydraulics code. The core grid itself can be described with a uniform material specification. The temperature dependency of cross sections and thermal neutron scattering laws is taken into account by interpolation, requiring only a limited number of data sets generated for different temperatures. Applications will be shown for the stationary part of the Purdue PWR benchmark using ATHLET for thermal- hydraulics and for a generic Modular High Temperature reactor using THERMIX for thermal- hydraulics. (authors)« less

Standardizing Methods for Weapons Accuracy and Effectiveness Evaluation

DTIC Science & Technology

2014-06-01

37  B.  MONTE CARLO APPROACH............................37  C.  EXPECTED VALUE THEOREM..........................38  D.  PHIT /PNM METHODOLOGY...MATLAB CODE – SR_CDF_DATA.......................96  F.  MATLAB CODE – GE_EXTRACT........................98  G.  MATLAB CODE - PHIT /PNM...Normal fit to test data.........................18  Figure 11.  Double Normal fit to test data..................19  Figure 12.  PHIT /PNM Methodology (from

Space Applications of the FLUKA Monte-Carlo Code: Lunar and Planetary Exploration

NASA Technical Reports Server (NTRS)

Anderson, V.; Ballarini, F.; Battistoni, G.; Campanella, M.; Carboni, M.; Cerutti, F.; Elkhayari, N.; Empl, A.; Fasso, A.; Ferrari, A.;

Calculated criticality for sup 235 U/graphite systems using the VIM Monte Carlo code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collins, P.J.; Grasseschi, G.L.; Olsen, D.N.

1992-01-01

Calculations for highly enriched uranium and graphite systems gained renewed interest recently for the new production modular high-temperature gas-cooled reactor (MHTGR). Experiments to validate the physics calculations for these systems are being prepared for the Transient Reactor Test Facility (TREAT) reactor at Argonne National Laboratory (ANL-West) and in the Compact Nuclear Power Source facility at Los Alamos National Laboratory. The continuous-energy Monte Carlo code VIM, or equivalently the MCNP code, can utilize fully detailed models of the MHTGR and serve as benchmarks for the approximate multigroup methods necessary in full reactor calculations. Validation of these codes and their associated nuclearmore » data did not exist for highly enriched {sup 235}U/graphite systems. Experimental data, used in development of more approximate methods, dates back to the 1960s. The authors have selected two independent sets of experiments for calculation with the VIM code. The carbon-to-uranium (C/U) ratios encompass the range of 2,000, representative of the new production MHTGR, to the ratio of 10,000 in the fuel of TREAT. Calculations used the ENDF/B-V data.« less

Design Analysis of SNS Target StationBiological Shielding Monoligh with Proton Power Uprate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bekar, Kursat B.; Ibrahim, Ahmad M.

2017-05-01

This report documents the analysis of the dose rate in the experiment area outside the Spallation Neutron Source (SNS) target station shielding monolith with proton beam energy of 1.3 GeV. The analysis implemented a coupled three dimensional (3D)/two dimensional (2D) approach that used both the Monte Carlo N-Particle Extended (MCNPX) 3D Monte Carlo code and the Discrete Ordinates Transport (DORT) two dimensional deterministic code. The analysis with proton beam energy of 1.3 GeV showed that the dose rate in continuously occupied areas on the lateral surface outside the SNS target station shielding monolith is less than 0.25 mrem/h, which compliesmore » with the SNS facility design objective. However, the methods and codes used in this analysis are out of date and unsupported, and the 2D approximation of the target shielding monolith does not accurately represent the geometry. We recommend that this analysis is updated with modern codes and libraries such as ADVANTG or SHIFT. These codes have demonstrated very high efficiency in performing full 3D radiation shielding analyses of similar and even more difficult problems.« less

COCOA code for creating mock observations of star cluster models

NASA Astrophysics Data System (ADS)

Askar, Abbas; Giersz, Mirek; Pych, Wojciech; Dalessandro, Emanuele

2018-04-01

We introduce and present results from the COCOA (Cluster simulatiOn Comparison with ObservAtions) code that has been developed to create idealized mock photometric observations using results from numerical simulations of star cluster evolution. COCOA is able to present the output of realistic numerical simulations of star clusters carried out using Monte Carlo or N-body codes in a way that is useful for direct comparison with photometric observations. In this paper, we describe the COCOA code and demonstrate its different applications by utilizing globular cluster (GC) models simulated with the MOCCA (MOnte Carlo Cluster simulAtor) code. COCOA is used to synthetically observe these different GC models with optical telescopes, perform point spread function photometry, and subsequently produce observed colour-magnitude diagrams. We also use COCOA to compare the results from synthetic observations of a cluster model that has the same age and metallicity as the Galactic GC NGC 2808 with observations of the same cluster carried out with a 2.2 m optical telescope. We find that COCOA can effectively simulate realistic observations and recover photometric data. COCOA has numerous scientific applications that maybe be helpful for both theoreticians and observers that work on star clusters. Plans for further improving and developing the code are also discussed in this paper.

MO-FG-BRA-01: 4D Monte Carlo Simulations for Verification of Dose Delivered to a Moving Anatomy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gholampourkashi, S; Cygler, J E.; The Ottawa Hospital Cancer Centre, Ottawa, ON

Purpose: To validate 4D Monte Carlo (MC) simulations of dose delivery by an Elekta Agility linear accelerator to a moving phantom. Methods: Monte Carlo simulations were performed using the 4DdefDOSXYZnrc/EGSnrc user code which samples a new geometry for each incident particle and calculates the dose in a continuously moving anatomy. A Quasar respiratory motion phantom with a lung insert containing a 3 cm diameter tumor was used for dose measurements on an Elekta Agility linac with the phantom in stationary and moving states. Dose to the center of tumor was measured using calibrated EBT3 film and the RADPOS 4D dosimetrymore » system. A VMAT plan covering the tumor was created on the static CT scan of the phantom using Monaco V.5.10.02. A validated BEAMnrc model of our Elekta Agility linac was used for Monte Carlo simulations on stationary and moving anatomies. To compare the planned and delivered doses, linac log files recorded during measurements were used for the simulations. For 4D simulations, deformation vectors that modeled the rigid translation of the lung insert were generated as input to the 4DdefDOSXYZnrc code as well as the phantom motion trace recorded with RADPOS during the measurements. Results: Monte Carlo simulations and film measurements were found to agree within 2mm/2% for 97.7% of points in the film in the static phantom and 95.5% in the moving phantom. Dose values based on film and RADPOS measurements are within 2% of each other and within 2σ of experimental uncertainties with respect to simulations. Conclusion: Our 4D Monte Carlo simulation using the defDOSXYZnrc code accurately calculates dose delivered to a moving anatomy. Future work will focus on more investigation of VMAT delivery on a moving phantom to improve the agreement between simulation and measurements, as well as establishing the accuracy of our method in a deforming anatomy. This work was supported by the Ontario Consortium of Adaptive Interventions in Radiation Oncology (OCAIRO), funded by the Ontario Research Fund Research Excellence program.« less

Monte carlo simulations of the n_TOF lead spallation target with the Geant4 toolkit: A benchmark study

NASA Astrophysics Data System (ADS)

Lerendegui-Marco, J.; Cortés-Giraldo, M. A.; Guerrero, C.; Quesada, J. M.; Meo, S. Lo; Massimi, C.; Barbagallo, M.; Colonna, N.; Mancussi, D.; Mingrone, F.; Sabaté-Gilarte, M.; Vannini, G.; Vlachoudis, V.; Aberle, O.; Andrzejewski, J.; Audouin, L.; Bacak, M.; Balibrea, J.; Bečvář, F.; Berthoumieux, E.; Billowes, J.; Bosnar, D.; Brown, A.; Caamaño, M.; Calviño, F.; Calviani, M.; Cano-Ott, D.; Cardella, R.; Casanovas, A.; Cerutti, F.; Chen, Y. H.; Chiaveri, E.; Cortés, G.; Cosentino, L.; Damone, L. A.; Diakaki, M.; Domingo-Pardo, C.; Dressler, R.; Dupont, E.; Durán, I.; Fernández-Domínguez, B.; Ferrari, A.; Ferreira, P.; Finocchiaro, P.; Göbel, K.; Gómez-Hornillos, M. B.; García, A. R.; Gawlik, A.; Gilardoni, S.; Glodariu, T.; Gonçalves, I. F.; González, E.; Griesmayer, E.; Gunsing, F.; Harada, H.; Heinitz, S.; Heyse, J.; Jenkins, D. G.; Jericha, E.; Käppeler, F.; Kadi, Y.; Kalamara, A.; Kavrigin, P.; Kimura, A.; Kivel, N.; Kokkoris, M.; Krtička, M.; Kurtulgil, D.; Leal-Cidoncha, E.; Lederer, C.; Leeb, H.; Lonsdale, S. J.; Macina, D.; Marganiec, J.; Martínez, T.; Masi, A.; Mastinu, P.; Mastromarco, M.; Maugeri, E. A.; Mazzone, A.; Mendoza, E.; Mengoni, A.; Milazzo, P. M.; Musumarra, A.; Negret, A.; Nolte, R.; Oprea, A.; Patronis, N.; Pavlik, A.; Perkowski, J.; Porras, I.; Praena, J.; Radeck, D.; Rauscher, T.; Reifarth, R.; Rout, P. C.; Rubbia, C.; Ryan, J. A.; Saxena, A.; Schillebeeckx, P.; Schumann, D.; Smith, A. G.; Sosnin, N. V.; Stamatopoulos, A.; Tagliente, G.; Tain, J. L.; Tarifeño-Saldivia, A.; Tassan-Got, L.; Valenta, S.; Variale, V.; Vaz, P.; Ventura, A.; Vlastou, R.; Wallner, A.; Warren, S.; Woods, P. J.; Wright, T.; Žugec, P.

2017-09-01

Monte Carlo (MC) simulations are an essential tool to determine fundamental features of a neutron beam, such as the neutron flux or the γ-ray background, that sometimes can not be measured or at least not in every position or energy range. Until recently, the most widely used MC codes in this field had been MCNPX and FLUKA. However, the Geant4 toolkit has also become a competitive code for the transport of neutrons after the development of the native Geant4 format for neutron data libraries, G4NDL. In this context, we present the Geant4 simulations of the neutron spallation target of the n_TOF facility at CERN, done with version 10.1.1 of the toolkit. The first goal was the validation of the intra-nuclear cascade models implemented in the code using, as benchmark, the characteristics of the neutron beam measured at the first experimental area (EAR1), especially the neutron flux and energy distribution, and the time distribution of neutrons of equal kinetic energy, the so-called Resolution Function. The second goal was the development of a Monte Carlo tool aimed to provide useful calculations for both the analysis and planning of the upcoming measurements at the new experimental area (EAR2) of the facility.

Voxel2MCNP: a framework for modeling, simulation and evaluation of radiation transport scenarios for Monte Carlo codes.

PubMed

Pölz, Stefan; Laubersheimer, Sven; Eberhardt, Jakob S; Harrendorf, Marco A; Keck, Thomas; Benzler, Andreas; Breustedt, Bastian

2013-08-21

The basic idea of Voxel2MCNP is to provide a framework supporting users in modeling radiation transport scenarios using voxel phantoms and other geometric models, generating corresponding input for the Monte Carlo code MCNPX, and evaluating simulation output. Applications at Karlsruhe Institute of Technology are primarily whole and partial body counter calibration and calculation of dose conversion coefficients. A new generic data model describing data related to radiation transport, including phantom and detector geometries and their properties, sources, tallies and materials, has been developed. It is modular and generally independent of the targeted Monte Carlo code. The data model has been implemented as an XML-based file format to facilitate data exchange, and integrated with Voxel2MCNP to provide a common interface for modeling, visualization, and evaluation of data. Also, extensions to allow compatibility with several file formats, such as ENSDF for nuclear structure properties and radioactive decay data, SimpleGeo for solid geometry modeling, ImageJ for voxel lattices, and MCNPX's MCTAL for simulation results have been added. The framework is presented and discussed in this paper and example workflows for body counter calibration and calculation of dose conversion coefficients is given to illustrate its application.

Monte Carlo simulations versus experimental measurements in a small animal PET system. A comparison in the NEMA NU 4-2008 framework

NASA Astrophysics Data System (ADS)

Popota, F. D.; Aguiar, P.; España, S.; Lois, C.; Udias, J. M.; Ros, D.; Pavia, J.; Gispert, J. D.

2015-01-01

In this work a comparison between experimental and simulated data using GATE and PeneloPET Monte Carlo simulation packages is presented. All simulated setups, as well as the experimental measurements, followed exactly the guidelines of the NEMA NU 4-2008 standards using the microPET R4 scanner. The comparison was focused on spatial resolution, sensitivity, scatter fraction and counting rates performance. Both GATE and PeneloPET showed reasonable agreement for the spatial resolution when compared to experimental measurements, although they lead to slight underestimations for the points close to the edge. High accuracy was obtained between experiments and simulations of the system’s sensitivity and scatter fraction for an energy window of 350-650 keV, as well as for the counting rate simulations. The latter was the most complicated test to perform since each code demands different specifications for the characterization of the system’s dead time. Although simulated and experimental results were in excellent agreement for both simulation codes, PeneloPET demanded more information about the behavior of the real data acquisition system. To our knowledge, this constitutes the first validation of these Monte Carlo codes for the full NEMA NU 4-2008 standards for small animal PET imaging systems.

Monte Carlo simulations versus experimental measurements in a small animal PET system. A comparison in the NEMA NU 4-2008 framework.

PubMed

Popota, F D; Aguiar, P; España, S; Lois, C; Udias, J M; Ros, D; Pavia, J; Gispert, J D

2015-01-07

In this work a comparison between experimental and simulated data using GATE and PeneloPET Monte Carlo simulation packages is presented. All simulated setups, as well as the experimental measurements, followed exactly the guidelines of the NEMA NU 4-2008 standards using the microPET R4 scanner. The comparison was focused on spatial resolution, sensitivity, scatter fraction and counting rates performance. Both GATE and PeneloPET showed reasonable agreement for the spatial resolution when compared to experimental measurements, although they lead to slight underestimations for the points close to the edge. High accuracy was obtained between experiments and simulations of the system's sensitivity and scatter fraction for an energy window of 350-650 keV, as well as for the counting rate simulations. The latter was the most complicated test to perform since each code demands different specifications for the characterization of the system's dead time. Although simulated and experimental results were in excellent agreement for both simulation codes, PeneloPET demanded more information about the behavior of the real data acquisition system. To our knowledge, this constitutes the first validation of these Monte Carlo codes for the full NEMA NU 4-2008 standards for small animal PET imaging systems.

Synthetic neutron camera and spectrometer in JET based on AFSI-ASCOT simulations

NASA Astrophysics Data System (ADS)

Sirén, P.; Varje, J.; Weisen, H.; Koskela, T.; contributors, JET

2017-09-01

The ASCOT Fusion Source Integrator (AFSI) has been used to calculate neutron production rates and spectra corresponding to the JET 19-channel neutron camera (KN3) and the time-of-flight spectrometer (TOFOR) as ideal diagnostics, without detector-related effects. AFSI calculates fusion product distributions in 4D, based on Monte Carlo integration from arbitrary reactant distribution functions. The distribution functions were calculated by the ASCOT Monte Carlo particle orbit following code for thermal, NBI and ICRH particle reactions. Fusion cross-sections were defined based on the Bosch-Hale model and both DD and DT reactions have been included. Neutrons generated by AFSI-ASCOT simulations have already been applied as a neutron source of the Serpent neutron transport code in ITER studies. Additionally, AFSI has been selected to be a main tool as the fusion product generator in the complete analysis calculation chain: ASCOT - AFSI - SERPENT (neutron and gamma transport Monte Carlo code) - APROS (system and power plant modelling code), which encompasses the plasma as an energy source, heat deposition in plant structures as well as cooling and balance-of-plant in DEMO applications and other reactor relevant analyses. This conference paper presents the first results and validation of the AFSI DD fusion model for different auxiliary heating scenarios (NBI, ICRH) with very different fast particle distribution functions. Both calculated quantities (production rates and spectra) have been compared with experimental data from KN3 and synthetic spectrometer data from ControlRoom code. No unexplained differences have been observed. In future work, AFSI will be extended for synthetic gamma diagnostics and additionally, AFSI will be used as part of the neutron transport calculation chain to model real diagnostics instead of ideal synthetic diagnostics for quantitative benchmarking.

Design and implementation of coded aperture coherent scatter spectral imaging of cancerous and healthy breast tissue samples

PubMed Central

Lakshmanan, Manu N.; Greenberg, Joel A.; Samei, Ehsan; Kapadia, Anuj J.

2016-01-01

Abstract. A scatter imaging technique for the differentiation of cancerous and healthy breast tissue in a heterogeneous sample is introduced in this work. Such a technique has potential utility in intraoperative margin assessment during lumpectomy procedures. In this work, we investigate the feasibility of the imaging method for tumor classification using Monte Carlo simulations and physical experiments. The coded aperture coherent scatter spectral imaging technique was used to reconstruct three-dimensional (3-D) images of breast tissue samples acquired through a single-position snapshot acquisition, without rotation as is required in coherent scatter computed tomography. We perform a quantitative assessment of the accuracy of the cancerous voxel classification using Monte Carlo simulations of the imaging system; describe our experimental implementation of coded aperture scatter imaging; show the reconstructed images of the breast tissue samples; and present segmentations of the 3-D images in order to identify the cancerous and healthy tissue in the samples. From the Monte Carlo simulations, we find that coded aperture scatter imaging is able to reconstruct images of the samples and identify the distribution of cancerous and healthy tissues (i.e., fibroglandular, adipose, or a mix of the two) inside them with a cancerous voxel identification sensitivity, specificity, and accuracy of 92.4%, 91.9%, and 92.0%, respectively. From the experimental results, we find that the technique is able to identify cancerous and healthy tissue samples and reconstruct differential coherent scatter cross sections that are highly correlated with those measured by other groups using x-ray diffraction. Coded aperture scatter imaging has the potential to provide scatter images that automatically differentiate cancerous and healthy tissue inside samples within a time on the order of a minute per slice. PMID:26962543

Design and implementation of coded aperture coherent scatter spectral imaging of cancerous and healthy breast tissue samples.

PubMed

Lakshmanan, Manu N; Greenberg, Joel A; Samei, Ehsan; Kapadia, Anuj J

2016-01-01

A scatter imaging technique for the differentiation of cancerous and healthy breast tissue in a heterogeneous sample is introduced in this work. Such a technique has potential utility in intraoperative margin assessment during lumpectomy procedures. In this work, we investigate the feasibility of the imaging method for tumor classification using Monte Carlo simulations and physical experiments. The coded aperture coherent scatter spectral imaging technique was used to reconstruct three-dimensional (3-D) images of breast tissue samples acquired through a single-position snapshot acquisition, without rotation as is required in coherent scatter computed tomography. We perform a quantitative assessment of the accuracy of the cancerous voxel classification using Monte Carlo simulations of the imaging system; describe our experimental implementation of coded aperture scatter imaging; show the reconstructed images of the breast tissue samples; and present segmentations of the 3-D images in order to identify the cancerous and healthy tissue in the samples. From the Monte Carlo simulations, we find that coded aperture scatter imaging is able to reconstruct images of the samples and identify the distribution of cancerous and healthy tissues (i.e., fibroglandular, adipose, or a mix of the two) inside them with a cancerous voxel identification sensitivity, specificity, and accuracy of 92.4%, 91.9%, and 92.0%, respectively. From the experimental results, we find that the technique is able to identify cancerous and healthy tissue samples and reconstruct differential coherent scatter cross sections that are highly correlated with those measured by other groups using x-ray diffraction. Coded aperture scatter imaging has the potential to provide scatter images that automatically differentiate cancerous and healthy tissue inside samples within a time on the order of a minute per slice.

SU-E-T-590: Optimizing Magnetic Field Strengths with Matlab for An Ion-Optic System in Particle Therapy Consisting of Two Quadrupole Magnets for Subsequent Simulations with the Monte-Carlo Code FLUKA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baumann, K; Weber, U; Simeonov, Y

Purpose: Aim of this study was to optimize the magnetic field strengths of two quadrupole magnets in a particle therapy facility in order to obtain a beam quality suitable for spot beam scanning. Methods: The particle transport through an ion-optic system of a particle therapy facility consisting of the beam tube, two quadrupole magnets and a beam monitor system was calculated with the help of Matlab by using matrices that solve the equation of motion of a charged particle in a magnetic field and field-free region, respectively. The magnetic field strengths were optimized in order to obtain a circular andmore » thin beam spot at the iso-center of the therapy facility. These optimized field strengths were subsequently transferred to the Monte-Carlo code FLUKA and the transport of 80 MeV/u C12-ions through this ion-optic system was calculated by using a user-routine to implement magnetic fields. The fluence along the beam-axis and at the iso-center was evaluated. Results: The magnetic field strengths could be optimized by using Matlab and transferred to the Monte-Carlo code FLUKA. The implementation via a user-routine was successful. Analyzing the fluence-pattern along the beam-axis the characteristic focusing and de-focusing effects of the quadrupole magnets could be reproduced. Furthermore the beam spot at the iso-center was circular and significantly thinner compared to an unfocused beam. Conclusion: In this study a Matlab tool was developed to optimize magnetic field strengths for an ion-optic system consisting of two quadrupole magnets as part of a particle therapy facility. These magnetic field strengths could subsequently be transferred to and implemented in the Monte-Carlo code FLUKA to simulate the particle transport through this optimized ion-optic system.« less

WE-DE-201-05: Evaluation of a Windowless Extrapolation Chamber Design and Monte Carlo Based Corrections for the Calibration of Ophthalmic Applicators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hansen, J; Culberson, W; DeWerd, L

Purpose: To test the validity of a windowless extrapolation chamber used to measure surface dose rate from planar ophthalmic applicators and to compare different Monte Carlo based codes for deriving correction factors. Methods: Dose rate measurements were performed using a windowless, planar extrapolation chamber with a {sup 90}Sr/{sup 90}Y Tracerlab RA-1 ophthalmic applicator previously calibrated at the National Institute of Standards and Technology (NIST). Capacitance measurements were performed to estimate the initial air gap width between the source face and collecting electrode. Current was measured as a function of air gap, and Bragg-Gray cavity theory was used to calculate themore » absorbed dose rate to water. To determine correction factors for backscatter, divergence, and attenuation from the Mylar entrance window found in the NIST extrapolation chamber, both EGSnrc Monte Carlo user code and Monte Carlo N-Particle Transport Code (MCNP) were utilized. Simulation results were compared with experimental current readings from the windowless extrapolation chamber as a function of air gap. Additionally, measured dose rate values were compared with the expected result from the NIST source calibration to test the validity of the windowless chamber design. Results: Better agreement was seen between EGSnrc simulated dose results and experimental current readings at very small air gaps (<100 µm) for the windowless extrapolation chamber, while MCNP results demonstrated divergence at these small gap widths. Three separate dose rate measurements were performed with the RA-1 applicator. The average observed difference from the expected result based on the NIST calibration was −1.88% with a statistical standard deviation of 0.39% (k=1). Conclusion: EGSnrc user code will be used during future work to derive correction factors for extrapolation chamber measurements. Additionally, experiment results suggest that an entrance window is not needed in order for an extrapolation chamber to provide accurate dose rate measurements for a planar ophthalmic applicator.« less

MC3: Multi-core Markov-chain Monte Carlo code

NASA Astrophysics Data System (ADS)

Cubillos, Patricio; Harrington, Joseph; Lust, Nate; Foster, AJ; Stemm, Madison; Loredo, Tom; Stevenson, Kevin; Campo, Chris; Hardin, Matt; Hardy, Ryan

2016-10-01

MC3 (Multi-core Markov-chain Monte Carlo) is a Bayesian statistics tool that can be executed from the shell prompt or interactively through the Python interpreter with single- or multiple-CPU parallel computing. It offers Markov-chain Monte Carlo (MCMC) posterior-distribution sampling for several algorithms, Levenberg-Marquardt least-squares optimization, and uniform non-informative, Jeffreys non-informative, or Gaussian-informative priors. MC3 can share the same value among multiple parameters and fix the value of parameters to constant values, and offers Gelman-Rubin convergence testing and correlated-noise estimation with time-averaging or wavelet-based likelihood estimation methods.

Monte Carlo Simulation of Nonlinear Radiation Induced Plasmas. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Wang, B. S.

1972-01-01

A Monte Carlo simulation model for radiation induced plasmas with nonlinear properties due to recombination was, employing a piecewise linearized predict-correct iterative technique. Several important variance reduction techniques were developed and incorporated into the model, including an antithetic variates technique. This approach is especially efficient for plasma systems with inhomogeneous media, multidimensions, and irregular boundaries. The Monte Carlo code developed has been applied to the determination of the electron energy distribution function and related parameters for a noble gas plasma created by alpha-particle irradiation. The characteristics of the radiation induced plasma involved are given.

SU-F-I-53: Coded Aperture Coherent Scatter Spectral Imaging of the Breast: A Monte Carlo Evaluation of Absorbed Dose

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morris, R; Lakshmanan, M; Fong, G

Purpose: Coherent scatter based imaging has shown improved contrast and molecular specificity over conventional digital mammography however the biological risks have not been quantified due to a lack of accurate information on absorbed dose. This study intends to characterize the dose distribution and average glandular dose from coded aperture coherent scatter spectral imaging of the breast. The dose deposited in the breast from this new diagnostic imaging modality has not yet been quantitatively evaluated. Here, various digitized anthropomorphic phantoms are tested in a Monte Carlo simulation to evaluate the absorbed dose distribution and average glandular dose using clinically feasible scanmore » protocols. Methods: Geant4 Monte Carlo radiation transport simulation software is used to replicate the coded aperture coherent scatter spectral imaging system. Energy sensitive, photon counting detectors are used to characterize the x-ray beam spectra for various imaging protocols. This input spectra is cross-validated with the results from XSPECT, a commercially available application that yields x-ray tube specific spectra for the operating parameters employed. XSPECT is also used to determine the appropriate number of photons emitted per mAs of tube current at a given kVp tube potential. With the implementation of the XCAT digital anthropomorphic breast phantom library, a variety of breast sizes with differing anatomical structure are evaluated. Simulations were performed with and without compression of the breast for dose comparison. Results: Through the Monte Carlo evaluation of a diverse population of breast types imaged under real-world scan conditions, a clinically relevant average glandular dose for this new imaging modality is extrapolated. Conclusion: With access to the physical coherent scatter imaging system used in the simulation, the results of this Monte Carlo study may be used to directly influence the future development of the modality to keep breast dose to a minimum while still maintaining clinically viable image quality.« less

SolTrace | Concentrating Solar Power | NREL

Science.gov Websites

NREL packaged distribution or from source code at the SolTrace open source project website. NREL Publications Support FAQs SolTrace open source project The code uses Monte-Carlo ray-tracing methodology. The -tracing capabilities. With the release of the SolTrace open source project, the software has adopted

Application of a Java-based, univel geometry, neutral particle Monte Carlo code to the searchlight problem

DOE Office of Scientific and Technical Information (OSTI.GOV)

Charles A. Wemple; Joshua J. Cogliati

2005-04-01

A univel geometry, neutral particle Monte Carlo transport code, written entirely in the Java programming language, is under development for medical radiotherapy applications. The code uses ENDF-VI based continuous energy cross section data in a flexible XML format. Full neutron-photon coupling, including detailed photon production and photonuclear reactions, is included. Charged particle equilibrium is assumed within the patient model so that detailed transport of electrons produced by photon interactions may be neglected. External beam and internal distributed source descriptions for mixed neutron-photon sources are allowed. Flux and dose tallies are performed on a univel basis. A four-tap, shift-register-sequence random numbermore » generator is used. Initial verification and validation testing of the basic neutron transport routines is underway. The searchlight problem was chosen as a suitable first application because of the simplicity of the physical model. Results show excellent agreement with analytic solutions. Computation times for similar numbers of histories are comparable to other neutron MC codes written in C and FORTRAN.« less

Monte Carlo and discrete-ordinate simulations of spectral radiances in a coupled air-tissue system.

PubMed

Hestenes, Kjersti; Nielsen, Kristian P; Zhao, Lu; Stamnes, Jakob J; Stamnes, Knut

2007-04-20

We perform a detailed comparison study of Monte Carlo (MC) simulations and discrete-ordinate radiative-transfer (DISORT) calculations of spectral radiances in a 1D coupled air-tissue (CAT) system consisting of horizontal plane-parallel layers. The MC and DISORT models have the same physical basis, including coupling between the air and the tissue, and we use the same air and tissue input parameters for both codes. We find excellent agreement between radiances obtained with the two codes, both above and in the tissue. Our tests cover typical optical properties of skin tissue at the 280, 540, and 650 nm wavelengths. The normalized volume scattering function for internal structures in the skin is represented by the one-parameter Henyey-Greenstein function for large particles and the Rayleigh scattering function for small particles. The CAT-DISORT code is found to be approximately 1000 times faster than the CAT-MC code. We also show that the spectral radiance field is strongly dependent on the inherent optical properties of the skin tissue.

Dosimetric comparison of Monte Carlo codes (EGS4, MCNP, MCNPX) considering external and internal exposures of the Zubal phantom to electron and photon sources.

PubMed

Chiavassa, S; Lemosquet, A; Aubineau-Lanièce, I; de Carlan, L; Clairand, I; Ferrer, L; Bardiès, M; Franck, D; Zankl, M

2005-01-01

This paper aims at comparing dosimetric assessments performed with three Monte Carlo codes: EGS4, MCNP4c2 and MCNPX2.5e, using a realistic voxel phantom, namely the Zubal phantom, in two configurations of exposure. The first one deals with an external irradiation corresponding to the example of a radiological accident. The results are obtained using the EGS4 and the MCNP4c2 codes and expressed in terms of the mean absorbed dose (in Gy per source particle) for brain, lungs, liver and spleen. The second one deals with an internal exposure corresponding to the treatment of a medullary thyroid cancer by 131I-labelled radiopharmaceutical. The results are obtained by EGS4 and MCNPX2.5e and compared in terms of S-values (expressed in mGy per kBq and per hour) for liver, kidney, whole body and thyroid. The results of these two studies are presented and differences between the codes are analysed and discussed.

A comparison between EGS4 and MCNP computer modeling of an in vivo X-ray fluorescence system.

PubMed

Al-Ghorabie, F H; Natto, S S; Al-Lyhiani, S H

2001-03-01

The Monte Carlo computer codes EGS4 and MCNP were used to develop a theoretical model of a 180 degrees geometry in vivo X-ray fluorescence system for the measurement of platinum concentration in head and neck tumors. The model included specification of the photon source, collimators, phantoms and detector. Theoretical results were compared and evaluated against X-ray fluorescence data obtained experimentally from an existing system developed by the Swansea In Vivo Analysis and Cancer Research Group. The EGS4 results agreed well with the MCNP results. However, agreement between the measured spectral shape obtained using the experimental X-ray fluorescence system and the simulated spectral shape obtained using the two Monte Carlo codes was relatively poor. The main reason for the disagreement between the results arises from the basic assumptions which the two codes used in their calculations. Both codes assume a "free" electron model for Compton interactions. This assumption will underestimate the results and invalidates any predicted and experimental spectra when compared with each other.

Comparisons between MCNP, EGS4 and experiment for clinical electron beams.

PubMed

Jeraj, R; Keall, P J; Ostwald, P M

1999-03-01

Understanding the limitations of Monte Carlo codes is essential in order to avoid systematic errors in simulations, and to suggest further improvement of the codes. MCNP and EGS4, Monte Carlo codes commonly used in medical physics, were compared and evaluated against electron depth dose data and experimental backscatter results obtained using clinical radiotherapy beams. Different physical models and algorithms used in the codes give significantly different depth dose curves and electron backscattering factors. The default version of MCNP calculates electron depth dose curves which are too penetrating. The MCNP results agree better with experiment if the ITS-style energy-indexing algorithm is used. EGS4 underpredicts electron backscattering for high-Z materials. The results slightly improve if optimal PRESTA-I parameters are used. MCNP simulates backscattering well even for high-Z materials. To conclude the comparison, a timing study was performed. EGS4 is generally faster than MCNP and use of a large number of scoring voxels dramatically slows down the MCNP calculation. However, use of a large number of geometry voxels in MCNP only slightly affects the speed of the calculation.

MCNP Version 6.2 Release Notes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Werner, Christopher John; Bull, Jeffrey S.; Solomon, C. J.

Monte Carlo N-Particle or MCNP ® is a general-purpose Monte Carlo radiation-transport code designed to track many particle types over broad ranges of energies. This MCNP Version 6.2 follows the MCNP6.1.1 beta version and has been released in order to provide the radiation transport community with the latest feature developments and bug fixes for MCNP. Since the last release of MCNP major work has been conducted to improve the code base, add features, and provide tools to facilitate ease of use of MCNP version 6.2 as well as the analysis of results. These release notes serve as a general guidemore » for the new/improved physics, source, data, tallies, unstructured mesh, code enhancements and tools. For more detailed information on each of the topics, please refer to the appropriate references or the user manual which can be found at http://mcnp.lanl.gov. This release of MCNP version 6.2 contains 39 new features in addition to 172 bug fixes and code enhancements. There are still some 33 known issues the user should familiarize themselves with (see Appendix).« less

Status of the Space Radiation Monte Carlos Simulation Based on FLUKA and ROOT

NASA Technical Reports Server (NTRS)

Andersen, Victor; Carminati, Federico; Empl, Anton; Ferrari, Alfredo; Pinsky, Lawrence; Sala, Paola; Wilson, Thomas L.

2002-01-01

The NASA-funded project reported on at the first IWSSRR in Arona to develop a Monte-Carlo simulation program for use in simulating the space radiation environment based on the FLUKA and ROOT codes is well into its second year of development, and considerable progress has been made. The general tasks required to achieve the final goals include the addition of heavy-ion interactions into the FLUKA code and the provision of a ROOT-based interface to FLUKA. The most significant progress to date includes the incorporation of the DPMJET event generator code within FLUKA to handle heavy-ion interactions for incident projectile energies greater than 3GeV/A. The ongoing effort intends to extend the treatment of these interactions down to 10 MeV, and at present two alternative approaches are being explored. The ROOT interface is being pursued in conjunction with the CERN LHC ALICE software team through an adaptation of their existing AliROOT software. As a check on the validity of the code, a simulation of the recent data taken by the ATIC experiment is underway.

Massively parallelized Monte Carlo software to calculate the light propagation in arbitrarily shaped 3D turbid media

NASA Astrophysics Data System (ADS)

Zoller, Christian; Hohmann, Ansgar; Ertl, Thomas; Kienle, Alwin

2017-07-01

The Monte Carlo method is often referred as the gold standard to calculate the light propagation in turbid media [1]. Especially for complex shaped geometries where no analytical solutions are available the Monte Carlo method becomes very important [1, 2]. In this work a Monte Carlo software is presented, to simulate the light propagation in complex shaped geometries. To improve the simulation time the code is based on OpenCL such that graphics cards can be used as well as other computing devices. Within the software an illumination concept is presented to realize easily all kinds of light sources, like spatial frequency domain (SFD), optical fibers or Gaussian beam profiles. Moreover different objects, which are not connected to each other, can be considered simultaneously, without any additional preprocessing. This Monte Carlo software can be used for many applications. In this work the transmission spectrum of a tooth and the color reconstruction of a virtual object are shown, using results from the Monte Carlo software.

Review of Hybrid (Deterministic/Monte Carlo) Radiation Transport Methods, Codes, and Applications at Oak Ridge National Laboratory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wagner, John C; Peplow, Douglas E.; Mosher, Scott W

2010-01-01

This paper provides a review of the hybrid (Monte Carlo/deterministic) radiation transport methods and codes used at the Oak Ridge National Laboratory and examples of their application for increasing the efficiency of real-world, fixed-source Monte Carlo analyses. The two principal hybrid methods are (1) Consistent Adjoint Driven Importance Sampling (CADIS) for optimization of a localized detector (tally) region (e.g., flux, dose, or reaction rate at a particular location) and (2) Forward Weighted CADIS (FW-CADIS) for optimizing distributions (e.g., mesh tallies over all or part of the problem space) or multiple localized detector regions (e.g., simultaneous optimization of two or moremore » localized tally regions). The two methods have been implemented and automated in both the MAVRIC sequence of SCALE 6 and ADVANTG, a code that works with the MCNP code. As implemented, the methods utilize the results of approximate, fast-running 3-D discrete ordinates transport calculations (with the Denovo code) to generate consistent space- and energy-dependent source and transport (weight windows) biasing parameters. These methods and codes have been applied to many relevant and challenging problems, including calculations of PWR ex-core thermal detector response, dose rates throughout an entire PWR facility, site boundary dose from arrays of commercial spent fuel storage casks, radiation fields for criticality accident alarm system placement, and detector response for special nuclear material detection scenarios and nuclear well-logging tools. Substantial computational speed-ups, generally O(10{sup 2-4}), have been realized for all applications to date. This paper provides a brief review of the methods, their implementation, results of their application, and current development activities, as well as a considerable list of references for readers seeking more information about the methods and/or their applications.« less

TH-A-19A-11: Validation of GPU-Based Monte Carlo Code (gPMC) Versus Fully Implemented Monte Carlo Code (TOPAS) for Proton Radiation Therapy: Clinical Cases Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giantsoudi, D; Schuemann, J; Dowdell, S

Purpose: For proton radiation therapy, Monte Carlo simulation (MCS) methods are recognized as the gold-standard dose calculation approach. Although previously unrealistic due to limitations in available computing power, GPU-based applications allow MCS of proton treatment fields to be performed in routine clinical use, on time scales comparable to that of conventional pencil-beam algorithms. This study focuses on validating the results of our GPU-based code (gPMC) versus fully implemented proton therapy based MCS code (TOPAS) for clinical patient cases. Methods: Two treatment sites were selected to provide clinical cases for this study: head-and-neck cases due to anatomical geometrical complexity (air cavitiesmore » and density heterogeneities), making dose calculation very challenging, and prostate cases due to higher proton energies used and close proximity of the treatment target to sensitive organs at risk. Both gPMC and TOPAS methods were used to calculate 3-dimensional dose distributions for all patients in this study. Comparisons were performed based on target coverage indices (mean dose, V90 and D90) and gamma index distributions for 2% of the prescription dose and 2mm. Results: For seven out of eight studied cases, mean target dose, V90 and D90 differed less than 2% between TOPAS and gPMC dose distributions. Gamma index analysis for all prostate patients resulted in passing rate of more than 99% of voxels in the target. Four out of five head-neck-cases showed passing rate of gamma index for the target of more than 99%, the fifth having a gamma index passing rate of 93%. Conclusion: Our current work showed excellent agreement between our GPU-based MCS code and fully implemented proton therapy based MC code for a group of dosimetrically challenging patient cases.« less

Monte Carlo calculation of the atmospheric antinucleon flux

NASA Astrophysics Data System (ADS)

Djemil, T.; Attallah, R.; Capdevielle, J. N.

2009-12-01

The atmospheric antiproton and antineutron energy spectra are calculated at float altitude using the CORSIKA package in a three-dimensional Monte Carlo simulation. The hadronic interaction is treated by the FLUKA code below 80 GeV/nucleon and NEXUS elsewhere. The solar modulation which is described by the force field theory and the geomagnetic effects are taken into account. The numerical results are compared with the BESS-2001 experimental data.

Monte Carlo simulation of Alaska wolf survival

NASA Astrophysics Data System (ADS)

Feingold, S. J.

1996-02-01

Alaskan wolves live in a harsh climate and are hunted intensively. Penna's biological aging code, using Monte Carlo methods, has been adapted to simulate wolf survival. It was run on the case in which hunting causes the disruption of wolves' social structure. Social disruption was shown to increase the number of deaths occurring at a given level of hunting. For high levels of social disruption, the population did not survive.

OBJECT KINETIC MONTE CARLO SIMULATIONS OF MICROSTRUCTURE EVOLUTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.

2013-09-30

The objective is to report the development of the flexible object kinetic Monte Carlo (OKMC) simulation code KSOME (kinetic simulation of microstructure evolution) which can be used to simulate microstructure evolution of complex systems under irradiation. In this report we briefly describe the capabilities of KSOME and present preliminary results for short term annealing of single cascades in tungsten at various primary-knock-on atom (PKA) energies and temperatures.

SABRINA: an interactive three-dimensional geometry-mnodeling program for MCNP

DOE Office of Scientific and Technical Information (OSTI.GOV)

West, J.T. III

SABRINA is a fully interactive three-dimensional geometry-modeling program for MCNP, a Los Alamos Monte Carlo code for neutron and photon transport. In SABRINA, a user constructs either body geometry or surface geometry models and debugs spatial descriptions for the resulting objects. This enhanced capability significantly reduces effort in constructing and debugging complicated three-dimensional geometry models for Monte Carlo analysis. 2 refs., 33 figs.

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

NASA Astrophysics Data System (ADS)

Kim, Jeongnim; Baczewski, Andrew D.; Beaudet, Todd D.; Benali, Anouar; Chandler Bennett, M.; Berrill, Mark A.; Blunt, Nick S.; Josué Landinez Borda, Edgar; Casula, Michele; Ceperley, David M.; Chiesa, Simone; Clark, Bryan K.; Clay, Raymond C., III; Delaney, Kris T.; Dewing, Mark; Esler, Kenneth P.; Hao, Hongxia; Heinonen, Olle; Kent, Paul R. C.; Krogel, Jaron T.; Kylänpää, Ilkka; Li, Ying Wai; Lopez, M. Graham; Luo, Ye; Malone, Fionn D.; Martin, Richard M.; Mathuriya, Amrita; McMinis, Jeremy; Melton, Cody A.; Mitas, Lubos; Morales, Miguel A.; Neuscamman, Eric; Parker, William D.; Pineda Flores, Sergio D.; Romero, Nichols A.; Rubenstein, Brenda M.; Shea, Jacqueline A. R.; Shin, Hyeondeok; Shulenburger, Luke; Tillack, Andreas F.; Townsend, Joshua P.; Tubman, Norm M.; Van Der Goetz, Brett; Vincent, Jordan E.; ChangMo Yang, D.; Yang, Yubo; Zhang, Shuai; Zhao, Luning

2018-05-01

QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater–Jastrow type trial wavefunctions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary-field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit and graphical processing unit systems. We detail the program’s capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://qmcpack.org.

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.

PubMed

Kim, Jeongnim; Baczewski, Andrew T; Beaudet, Todd D; Benali, Anouar; Bennett, M Chandler; Berrill, Mark A; Blunt, Nick S; Borda, Edgar Josué Landinez; Casula, Michele; Ceperley, David M; Chiesa, Simone; Clark, Bryan K; Clay, Raymond C; Delaney, Kris T; Dewing, Mark; Esler, Kenneth P; Hao, Hongxia; Heinonen, Olle; Kent, Paul R C; Krogel, Jaron T; Kylänpää, Ilkka; Li, Ying Wai; Lopez, M Graham; Luo, Ye; Malone, Fionn D; Martin, Richard M; Mathuriya, Amrita; McMinis, Jeremy; Melton, Cody A; Mitas, Lubos; Morales, Miguel A; Neuscamman, Eric; Parker, William D; Pineda Flores, Sergio D; Romero, Nichols A; Rubenstein, Brenda M; Shea, Jacqueline A R; Shin, Hyeondeok; Shulenburger, Luke; Tillack, Andreas F; Townsend, Joshua P; Tubman, Norm M; Van Der Goetz, Brett; Vincent, Jordan E; Yang, D ChangMo; Yang, Yubo; Zhang, Shuai; Zhao, Luning

2018-05-16

QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wavefunctions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary-field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit and graphical processing unit systems. We detail the program's capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://qmcpack.org.

[Series: Medical Applications of the PHITS Code (2): Acceleration by Parallel Computing].

PubMed

Furuta, Takuya; Sato, Tatsuhiko

2015-01-01

Time-consuming Monte Carlo dose calculation becomes feasible owing to the development of computer technology. However, the recent development is due to emergence of the multi-core high performance computers. Therefore, parallel computing becomes a key to achieve good performance of software programs. A Monte Carlo simulation code PHITS contains two parallel computing functions, the distributed-memory parallelization using protocols of message passing interface (MPI) and the shared-memory parallelization using open multi-processing (OpenMP) directives. Users can choose the two functions according to their needs. This paper gives the explanation of the two functions with their advantages and disadvantages. Some test applications are also provided to show their performance using a typical multi-core high performance workstation.

Development of a multi-modal Monte-Carlo radiation treatment planning system combined with PHITS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumada, Hiroaki; Nakamura, Takemi; Komeda, Masao

A new multi-modal Monte-Carlo radiation treatment planning system is under development at Japan Atomic Energy Agency. This system (developing code: JCDS-FX) builds on fundamental technologies of JCDS. JCDS was developed by JAEA to perform treatment planning of boron neutron capture therapy (BNCT) which is being conducted at JRR-4 in JAEA. JCDS has many advantages based on practical accomplishments for actual clinical trials of BNCT at JRR-4, the advantages have been taken over to JCDS-FX. One of the features of JCDS-FX is that PHITS has been applied to particle transport calculation. PHITS is a multipurpose particle Monte-Carlo transport code, thus applicationmore » of PHITS enables to evaluate doses for not only BNCT but also several radiotherapies like proton therapy. To verify calculation accuracy of JCDS-FX with PHITS for BNCT, treatment planning of an actual BNCT conducted at JRR-4 was performed retrospectively. The verification results demonstrated the new system was applicable to BNCT clinical trials in practical use. In framework of R and D for laser-driven proton therapy, we begin study for application of JCDS-FX combined with PHITS to proton therapy in addition to BNCT. Several features and performances of the new multimodal Monte-Carlo radiotherapy planning system are presented.« less

CPMC-Lab: A MATLAB package for Constrained Path Monte Carlo calculations

NASA Astrophysics Data System (ADS)

Nguyen, Huy; Shi, Hao; Xu, Jie; Zhang, Shiwei

2014-12-01

We describe CPMC-Lab, a MATLAB program for the constrained-path and phaseless auxiliary-field Monte Carlo methods. These methods have allowed applications ranging from the study of strongly correlated models, such as the Hubbard model, to ab initio calculations in molecules and solids. The present package implements the full ground-state constrained-path Monte Carlo (CPMC) method in MATLAB with a graphical interface, using the Hubbard model as an example. The package can perform calculations in finite supercells in any dimensions, under periodic or twist boundary conditions. Importance sampling and all other algorithmic details of a total energy calculation are included and illustrated. This open-source tool allows users to experiment with various model and run parameters and visualize the results. It provides a direct and interactive environment to learn the method and study the code with minimal overhead for setup. Furthermore, the package can be easily generalized for auxiliary-field quantum Monte Carlo (AFQMC) calculations in many other models for correlated electron systems, and can serve as a template for developing a production code for AFQMC total energy calculations in real materials. Several illustrative studies are carried out in one- and two-dimensional lattices on total energy, kinetic energy, potential energy, and charge- and spin-gaps.

Reconstruction of Human Monte Carlo Geometry from Segmented Images

NASA Astrophysics Data System (ADS)

Zhao, Kai; Cheng, Mengyun; Fan, Yanchang; Wang, Wen; Long, Pengcheng; Wu, Yican

2014-06-01

Human computational phantoms have been used extensively for scientific experimental analysis and experimental simulation. This article presented a method for human geometry reconstruction from a series of segmented images of a Chinese visible human dataset. The phantom geometry could actually describe detailed structure of an organ and could be converted into the input file of the Monte Carlo codes for dose calculation. A whole-body computational phantom of Chinese adult female has been established by FDS Team which is named Rad-HUMAN with about 28.8 billion voxel number. For being processed conveniently, different organs on images were segmented with different RGB colors and the voxels were assigned with positions of the dataset. For refinement, the positions were first sampled. Secondly, the large sums of voxels inside the organ were three-dimensional adjacent, however, there were not thoroughly mergence methods to reduce the cell amounts for the description of the organ. In this study, the voxels on the organ surface were taken into consideration of the mergence which could produce fewer cells for the organs. At the same time, an indexed based sorting algorithm was put forward for enhancing the mergence speed. Finally, the Rad-HUMAN which included a total of 46 organs and tissues was described by the cuboids into the Monte Carlo Monte Carlo Geometry for the simulation. The Monte Carlo geometry was constructed directly from the segmented images and the voxels was merged exhaustively. Each organ geometry model was constructed without ambiguity and self-crossing, its geometry information could represent the accuracy appearance and precise interior structure of the organs. The constructed geometry largely retaining the original shape of organs could easily be described into different Monte Carlo codes input file such as MCNP. Its universal property was testified and high-performance was experimentally verified

Status of the Monte Carlo library least-squares (MCLLS) approach for non-linear radiation analyzer problems

NASA Astrophysics Data System (ADS)

Gardner, Robin P.; Xu, Libai

2009-10-01

The Center for Engineering Applications of Radioisotopes (CEAR) has been working for over a decade on the Monte Carlo library least-squares (MCLLS) approach for treating non-linear radiation analyzer problems including: (1) prompt gamma-ray neutron activation analysis (PGNAA) for bulk analysis, (2) energy-dispersive X-ray fluorescence (EDXRF) analyzers, and (3) carbon/oxygen tool analysis in oil well logging. This approach essentially consists of using Monte Carlo simulation to generate the libraries of all the elements to be analyzed plus any other required background libraries. These libraries are then used in the linear library least-squares (LLS) approach with unknown sample spectra to analyze for all elements in the sample. Iterations of this are used until the LLS values agree with the composition used to generate the libraries. The current status of the methods (and topics) necessary to implement the MCLLS approach is reported. This includes: (1) the Monte Carlo codes such as CEARXRF, CEARCPG, and CEARCO for forward generation of the necessary elemental library spectra for the LLS calculation for X-ray fluorescence, neutron capture prompt gamma-ray analyzers, and carbon/oxygen tools; (2) the correction of spectral pulse pile-up (PPU) distortion by Monte Carlo simulation with the code CEARIPPU; (3) generation of detector response functions (DRF) for detectors with linear and non-linear responses for Monte Carlo simulation of pulse-height spectra; and (4) the use of the differential operator (DO) technique to make the necessary iterations for non-linear responses practical. In addition to commonly analyzed single spectra, coincidence spectra or even two-dimensional (2-D) coincidence spectra can also be used in the MCLLS approach and may provide more accurate results.

A Deterministic Transport Code for Space Environment Electrons

NASA Technical Reports Server (NTRS)

Nealy, John E.; Chang, C. K.; Norman, Ryan B.; Blattnig, Steve R.; Badavi, Francis F.; Adamczyk, Anne M.

2010-01-01

A deterministic computational procedure has been developed to describe transport of space environment electrons in various shield media. This code is an upgrade and extension of an earlier electron code. Whereas the former code was formulated on the basis of parametric functions derived from limited laboratory data, the present code utilizes well established theoretical representations to describe the relevant interactions and transport processes. The shield material specification has been made more general, as have the pertinent cross sections. A combined mean free path and average trajectory approach has been used in the transport formalism. Comparisons with Monte Carlo calculations are presented.

Benchmark test of transport calculations of gold and nickel activation with implications for neutron kerma at Hiroshima.

PubMed

Hoshi, M; Hiraoka, M; Hayakawa, N; Sawada, S; Munaka, M; Kuramoto, A; Oka, T; Iwatani, K; Shizuma, K; Hasai, H

1992-11-01

A benchmark test of the Monte Carlo neutron and photon transport code system (MCNP) was performed using a 252Cf fission neutron source to validate the use of the code for the energy spectrum analyses of Hiroshima atomic bomb neutrons. Nuclear data libraries used in the Monte Carlo neutron and photon transport code calculation were ENDF/B-III, ENDF/B-IV, LASL-SUB, and ENDL-73. The neutron moderators used were granite (the main component of which is SiO2, with a small fraction of hydrogen), Newlight [polyethylene with 3.7% boron (natural)], ammonium chloride (NH4Cl), and water (H2O). Each moderator was 65 cm thick. The neutron detectors were gold and nickel foils, which were used to detect thermal and epithermal neutrons (4.9 eV) and fast neutrons (> 0.5 MeV), respectively. Measured activity data from neutron-irradiated gold and nickel foils in these moderators decreased to about 1/1,000th or 1/10,000th, which correspond to about 1,500 m ground distance from the hypocenter in Hiroshima. For both gold and nickel detectors, the measured activities and the calculated values agreed within 10%. The slopes of the depth-yield relations in each moderator, except granite, were similar for neutrons detected by the gold and nickel foils. From the results of these studies, the Monte Carlo neutron and photon transport code was verified to be accurate enough for use with the elements hydrogen, carbon, nitrogen, oxygen, silicon, chlorine, and cadmium, and for the incident 252Cf fission spectrum neutrons.

CGRO Guest Investigator Program

NASA Technical Reports Server (NTRS)

Begelman, Mitchell C.

1997-01-01

The following are highlights from the research supported by this grant: (1) Theory of gamma-ray blazars: We studied the theory of gamma-ray blazars, being among the first investigators to propose that the GeV emission arises from Comptonization of diffuse radiation surrounding the jet, rather than from the synchrotron-self-Compton mechanism. In related work, we uncovered possible connections between the mechanisms of gamma-ray blazars and those of intraday radio variability, and have conducted a general study of the role of Compton radiation drag on the dynamics of relativistic jets. (2) A Nonlinear Monte Carlo code for gamma-ray spectrum formation: We developed, tested, and applied the first Nonlinear Monte Carlo (NLMC) code for simulating gamma-ray production and transfer under much more general (and realistic) conditions than are accessible with other techniques. The present version of the code is designed to simulate conditions thought to be present in active galactic nuclei and certain types of X-ray binaries, and includes the physics needed to model thermal and nonthermal electron-positron pair cascades. Unlike traditional Monte-Carlo techniques, our method can accurately handle highly non-linear systems in which the radiation and particle backgrounds must be determined self-consistently and in which the particle energies span many orders of magnitude. Unlike models based on kinetic equations, our code can handle arbitrary source geometries and relativistic kinematic effects In its first important application following testing, we showed that popular semi-analytic accretion disk corona models for Seyfert spectra are seriously in error, and demonstrated how the spectra can be simulated if the disk is sparsely covered by localized 'flares'.

Error threshold for color codes and random three-body Ising models.

PubMed

Katzgraber, Helmut G; Bombin, H; Martin-Delgado, M A

2009-08-28

We study the error threshold of color codes, a class of topological quantum codes that allow a direct implementation of quantum Clifford gates suitable for entanglement distillation, teleportation, and fault-tolerant quantum computation. We map the error-correction process onto a statistical mechanical random three-body Ising model and study its phase diagram via Monte Carlo simulations. The obtained error threshold of p(c) = 0.109(2) is very close to that of Kitaev's toric code, showing that enhanced computational capabilities do not necessarily imply lower resistance to noise.

KEWPIE: A dynamical cascade code for decaying exited compound nuclei

NASA Astrophysics Data System (ADS)

Bouriquet, Bertrand; Abe, Yasuhisa; Boilley, David

2004-05-01

A new dynamical cascade code for decaying hot nuclei is proposed and specially adapted to the synthesis of super-heavy nuclei. For such a case, the interesting channel is of the tiny fraction that will decay through particles emission, thus the code avoids classical Monte-Carlo methods and proposes a new numerical scheme. The time dependence is explicitely taken into account in order to cope with the fact that fission decay rate might not be constant. The code allows to evaluate both statistical and dynamical observables. Results are successfully compared to experimental data.

Monte Carlo N Particle code - Dose distribution of clinical electron beams in inhomogeneous phantoms

PubMed Central

Nedaie, H. A.; Mosleh-Shirazi, M. A.; Allahverdi, M.

2013-01-01

Electron dose distributions calculated using the currently available analytical methods can be associated with large uncertainties. The Monte Carlo method is the most accurate method for dose calculation in electron beams. Most of the clinical electron beam simulation studies have been performed using non- MCNP [Monte Carlo N Particle] codes. Given the differences between Monte Carlo codes, this work aims to evaluate the accuracy of MCNP4C-simulated electron dose distributions in a homogenous phantom and around inhomogeneities. Different types of phantoms ranging in complexity were used; namely, a homogeneous water phantom and phantoms made of polymethyl methacrylate slabs containing different-sized, low- and high-density inserts of heterogeneous materials. Electron beams with 8 and 15 MeV nominal energy generated by an Elekta Synergy linear accelerator were investigated. Measurements were performed for a 10 cm × 10 cm applicator at a source-to-surface distance of 100 cm. Individual parts of the beam-defining system were introduced into the simulation one at a time in order to show their effect on depth doses. In contrast to the first scattering foil, the secondary scattering foil, X and Y jaws and applicator provide up to 5% of the dose. A 2%/2 mm agreement between MCNP and measurements was found in the homogenous phantom, and in the presence of heterogeneities in the range of 1-3%, being generally within 2% of the measurements for both energies in a "complex" phantom. A full-component simulation is necessary in order to obtain a realistic model of the beam. The MCNP4C results agree well with the measured electron dose distributions. PMID:23533162

Fixed forced detection for fast SPECT Monte-Carlo simulation

NASA Astrophysics Data System (ADS)

Cajgfinger, T.; Rit, S.; Létang, J. M.; Halty, A.; Sarrut, D.

2018-03-01

Monte-Carlo simulations of SPECT images are notoriously slow to converge due to the large ratio between the number of photons emitted and detected in the collimator. This work proposes a method to accelerate the simulations based on fixed forced detection (FFD) combined with an analytical response of the detector. FFD is based on a Monte-Carlo simulation but forces the detection of a photon in each detector pixel weighted by the probability of emission (or scattering) and transmission to this pixel. The method was evaluated with numerical phantoms and on patient images. We obtained differences with analog Monte Carlo lower than the statistical uncertainty. The overall computing time gain can reach up to five orders of magnitude. Source code and examples are available in the Gate V8.0 release.

Fixed forced detection for fast SPECT Monte-Carlo simulation.

PubMed

Cajgfinger, T; Rit, S; Létang, J M; Halty, A; Sarrut, D

2018-03-02

Monte-Carlo simulations of SPECT images are notoriously slow to converge due to the large ratio between the number of photons emitted and detected in the collimator. This work proposes a method to accelerate the simulations based on fixed forced detection (FFD) combined with an analytical response of the detector. FFD is based on a Monte-Carlo simulation but forces the detection of a photon in each detector pixel weighted by the probability of emission (or scattering) and transmission to this pixel. The method was evaluated with numerical phantoms and on patient images. We obtained differences with analog Monte Carlo lower than the statistical uncertainty. The overall computing time gain can reach up to five orders of magnitude. Source code and examples are available in the Gate V8.0 release.

Key issues of ultraviolet radiation of OH at high altitudes

NASA Astrophysics Data System (ADS)

Zhang, Yuhuai; Wan, Tian; Jiang, Jianzheng; Fan, Jing

2014-12-01

Ultraviolet (UV) emissions radiated by hydroxyl (OH) is one of the fundamental elements in the prediction of radiation signature of high-altitude and high-speed vehicle. In this work, the OH A2Σ+→ X2Π ultraviolet emission band behind the bow shock is computed under the experimental condition of the second bow-shock ultraviolet flight (BSUV-2). Four related key issues are discussed, namely, the source of hydrogen element in the high-altitude atmosphere, the formation mechanism of OH species, efficient computational algorithm of trace species in rarefied flows, and accurate calculation of OH emission spectra. Firstly, by analyzing the typical atmospheric model, the vertical distributions of the number densities of different species containing hydrogen element are given. According to the different dominating species containing hydrogen element, the atmosphere is divided into three zones, and the formation mechanism of OH species is analyzed in the different zones. The direct simulation Monte Carlo (DSMC) method and the Navier-Stokes equations are employed to compute the number densities of the different OH electronically and vibrationally excited states. Different to the previous work, the trace species separation (TSS) algorithm is applied twice in order to accurately calculate the densities of OH species and its excited states. Using a non-equilibrium radiation model, the OH ultraviolet emission spectra and intensity at different altitudes are computed, and good agreement is obtained with the flight measured data.

The interaction of Io's plumes and sublimation atmosphere

NASA Astrophysics Data System (ADS)

McDoniel, William J.; Goldstein, David B.; Varghese, Philip L.; Trafton, Laurence M.

2017-09-01

Io's volcanic plumes are the ultimate source of its SO2 atmosphere, but past eruptions have covered the moon in surface frost which sublimates in sunlight. Today, Io's atmosphere is a result of some combination of volcanism and sublimation, but it is unknown exactly how these processes work together to create the observed atmosphere. We use the direct simulation Monte Carlo (DSMC) method to model the interaction of giant plumes with a sublimation atmosphere. Axisymmetric plume/atmosphere simulations demonstrate that the total mass of SO2 above Io's surface is only poorly approximated as the sum of independent volcanic and sublimated components. A simple analytic model is developed to show how variation in the mass of erupting gas above Io's surface can counteract variation in the mass of its hydrostatic atmosphere as surface temperature changes over a Jupiter year. Three-dimensional, unsteady simulations of giant plumes over an Io day are also presented, showing how plume material becomes suspended in the sublimation atmosphere. We find that a plume which produces some total mass above Io's surface at night will cause a net increase in the noon-time atmosphere of only a fraction of the night-time value. However, as much as seven times the night-side mass of the plume will become suspended in the sublimation atmosphere, altering its composition and displacing sublimated material.

Validation of the analytical methods in the LWR code BOXER for gadolinium-loaded fuel pins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paratte, J.M.; Arkuszewski, J.J.; Kamboj, B.K.

1990-01-01

Due to the very high absorption occurring in gadolinium-loaded fuel pins, calculations of lattices with such pins present are a demanding test of the analysis methods in light water reactor (LWR) cell and assembly codes. Considerable effort has, therefore, been devoted to the validation of code methods for gadolinia fuel. The goal of the work reported in this paper is to check the analysis methods in the LWR cell/assembly code BOXER and its associated cross-section processing code ETOBOX, by comparison of BOXER results with those from a very accurate Monte Carlo calculation for a gadolinium benchmark problem. Initial results ofmore » such a comparison have been previously reported. However, the Monte Carlo calculations, done with the MCNP code, were performed at Los Alamos National Laboratory using ENDF/B-V data, while the BOXER calculations were performed at the Paul Scherrer Institute using JEF-1 nuclear data. This difference in the basic nuclear data used for the two calculations, caused by the restricted nature of these evaluated data files, led to associated uncertainties in a comparison of the results for methods validation. In the joint investigations at the Georgia Institute of Technology and PSI, such uncertainty in this comparison was eliminated by using ENDF/B-V data for BOXER calculations at Georgia Tech.« less

Methodology comparison for gamma-heating calculations in material-testing reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lemaire, M.; Vaglio-Gaudard, C.; Lyoussi, A.

2015-07-01

The Jules Horowitz Reactor (JHR) is a Material-Testing Reactor (MTR) under construction in the south of France at CEA Cadarache (French Alternative Energies and Atomic Energy Commission). It will typically host about 20 simultaneous irradiation experiments in the core and in the beryllium reflector. These experiments will help us better understand the complex phenomena occurring during the accelerated ageing of materials and the irradiation of nuclear fuels. Gamma heating, i.e. photon energy deposition, is mainly responsible for temperature rise in non-fuelled zones of nuclear reactors, including JHR internal structures and irradiation devices. As temperature is a key parameter for physicalmore » models describing the behavior of material, accurate control of temperature, and hence gamma heating, is required in irradiation devices and samples in order to perform an advanced suitable analysis of future experimental results. From a broader point of view, JHR global attractiveness as a MTR depends on its ability to monitor experimental parameters with high accuracy, including gamma heating. Strict control of temperature levels is also necessary in terms of safety. As JHR structures are warmed up by gamma heating, they must be appropriately cooled down to prevent creep deformation or melting. Cooling-power sizing is based on calculated levels of gamma heating in the JHR. Due to these safety concerns, accurate calculation of gamma heating with well-controlled bias and associated uncertainty as low as possible is all the more important. There are two main kinds of calculation bias: bias coming from nuclear data on the one hand and bias coming from physical approximations assumed by computer codes and by general calculation route on the other hand. The former must be determined by comparison between calculation and experimental data; the latter by calculation comparisons between codes and between methodologies. In this presentation, we focus on this latter kind of bias. Nuclear heating is represented by the physical quantity called absorbed dose (energy deposition induced by particle-matter interactions, divided by mass). Its calculation with Monte Carlo codes is possible but computationally expensive as it requires transport simulation of charged particles, along with neutrons and photons. For that reason, the calculation of another physical quantity, called KERMA, is often preferred, as KERMA calculation with Monte Carlo codes only requires transport of neutral particles. However, KERMA is only an estimator of the absorbed dose and many conditions must be fulfilled for KERMA to be equal to absorbed dose, including so-called condition of electronic equilibrium. Also, Monte Carlo computations of absorbed dose still present some physical approximations, even though there is only a limited number of them. Some of these approximations are linked to the way how Monte Carlo codes apprehend the transport simulation of charged particles and the productive and destructive interactions between photons, electrons and positrons. There exists a huge variety of electromagnetic shower models which tackle this topic. Differences in the implementation of these models can lead to discrepancies in calculated values of absorbed dose between different Monte Carlo codes. The magnitude of order of such potential discrepancies should be quantified for JHR gamma-heating calculations. We consequently present a two-pronged plan. In a first phase, we intend to perform compared absorbed dose / KERMA Monte Carlo calculations in the JHR. This way, we will study the presence or absence of electronic equilibrium in the different JHR structures and experimental devices and we will give recommendations for the choice of KERMA or absorbed dose when calculating gamma heating in the JHR. In a second phase, we intend to perform compared TRIPOLI4 / MCNP absorbed dose calculations in a simplified JHR-representative geometry. For this comparison, we will use the same nuclear data library for both codes (the European library JEFF3.1.1 and photon library EPDL97) so as to isolate the effects from electromagnetic shower models on absorbed dose calculation. This way, we hope to get insightful feedback on these models and their implementation in Monte Carlo codes. (authors)« less

Chemical application of diffusion quantum Monte Carlo

NASA Technical Reports Server (NTRS)

Reynolds, P. J.; Lester, W. A., Jr.

1984-01-01

The diffusion quantum Monte Carlo (QMC) method gives a stochastic solution to the Schroedinger equation. This approach is receiving increasing attention in chemical applications as a result of its high accuracy. However, reducing statistical uncertainty remains a priority because chemical effects are often obtained as small differences of large numbers. As an example, the single-triplet splitting of the energy of the methylene molecule CH sub 2 is given. The QMC algorithm was implemented on the CYBER 205, first as a direct transcription of the algorithm running on the VAX 11/780, and second by explicitly writing vector code for all loops longer than a crossover length C. The speed of the codes relative to one another as a function of C, and relative to the VAX, are discussed. The computational time dependence obtained versus the number of basis functions is discussed and this is compared with that obtained from traditional quantum chemistry codes and that obtained from traditional computer architectures.

A fully-implicit Particle-In-Cell Monte Carlo Collision code for the simulation of inductively coupled plasmas

NASA Astrophysics Data System (ADS)

Mattei, S.; Nishida, K.; Onai, M.; Lettry, J.; Tran, M. Q.; Hatayama, A.

2017-12-01

We present a fully-implicit electromagnetic Particle-In-Cell Monte Carlo collision code, called NINJA, written for the simulation of inductively coupled plasmas. NINJA employs a kinetic enslaved Jacobian-Free Newton Krylov method to solve self-consistently the interaction between the electromagnetic field generated by the radio-frequency coil and the plasma response. The simulated plasma includes a kinetic description of charged and neutral species as well as the collision processes between them. The algorithm allows simulations with cell sizes much larger than the Debye length and time steps in excess of the Courant-Friedrichs-Lewy condition whilst preserving the conservation of the total energy. The code is applied to the simulation of the plasma discharge of the Linac4 H- ion source at CERN. Simulation results of plasma density, temperature and EEDF are discussed and compared with optical emission spectroscopy measurements. A systematic study of the energy conservation as a function of the numerical parameters is presented.

Dynamic Monte Carlo simulations of radiatively accelerated GRB fireballs

NASA Astrophysics Data System (ADS)

Chhotray, Atul; Lazzati, Davide

2018-05-01

We present a novel Dynamic Monte Carlo code (DynaMo code) that self-consistently simulates the Compton-scattering-driven dynamic evolution of a plasma. We use the DynaMo code to investigate the time-dependent expansion and acceleration of dissipationless gamma-ray burst fireballs by varying their initial opacities and baryonic content. We study the opacity and energy density evolution of an initially optically thick, radiation-dominated fireball across its entire phase space - in particular during the Rph < Rsat regime. Our results reveal new phases of fireball evolution: a transition phase with a radial extent of several orders of magnitude - the fireball transitions from Γ ∝ R to Γ ∝ R0, a post-photospheric acceleration phase - where fireballs accelerate beyond the photosphere and a Thomson-dominated acceleration phase - characterized by slow acceleration of optically thick, matter-dominated fireballs due to Thomson scattering. We quantify the new phases by providing analytical expressions of Lorentz factor evolution, which will be useful for deriving jet parameters.

High-Throughput Characterization of Porous Materials Using Graphics Processing Units

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Jihan; Martin, Richard L.; Rübel, Oliver

We have developed a high-throughput graphics processing units (GPU) code that can characterize a large database of crystalline porous materials. In our algorithm, the GPU is utilized to accelerate energy grid calculations where the grid values represent interactions (i.e., Lennard-Jones + Coulomb potentials) between gas molecules (i.e., CHmore » $$_{4}$$ and CO$$_{2}$$) and material's framework atoms. Using a parallel flood fill CPU algorithm, inaccessible regions inside the framework structures are identified and blocked based on their energy profiles. Finally, we compute the Henry coefficients and heats of adsorption through statistical Widom insertion Monte Carlo moves in the domain restricted to the accessible space. The code offers significant speedup over a single core CPU code and allows us to characterize a set of porous materials at least an order of magnitude larger than ones considered in earlier studies. For structures selected from such a prescreening algorithm, full adsorption isotherms can be calculated by conducting multiple grand canonical Monte Carlo simulations concurrently within the GPU.« less