Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Computerized simulation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 991 records · Page 55

High Temperature Gas-Cooled Test Reactor Options Status Report

Preliminary scoping calculations are being performed for a 100 MWt gas-cooled test reactor. The initial design uses standard prismatic blocks and 15.5% enriched UCO fuel. Reactor physics and thermal-hydraulics simulations have been performed to identify some reactor design features to investigate further. Current status of the effort is described.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

TREAT Modeling and Simulation Strategy

This report summarizes a four-phase process used to describe the strategy in developing modeling and simulation software for the Transient Reactor Test Facility. The four phases of this research and development task are identified as (1) full core transient calculations with feedback, (2) experiment modeling, (3) full core plus experiment simulation and (4) quality assurance. The document describes the four phases, the relationship between these research phases, and anticipated needs within each phase.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Center for Momentum Transport and Flow Organization in Plasmas - Final Scientific Report

Overview of University of Colorado Efforts: The University of Colorado group has focused on two primary fronts during the grant period: development of a variety of multi-point diagnostic and/or imaging analysis techniques, and momentum-transport related experiments on a variety of devices (NSTX at PPPL, CSDX at UCSD, LAPD at UCLA, DIII-D at GA). Experimental work has taken advantage of several diagnostic instruments, including fast-framing cameras for imaging of electron density fluctuations (either directly or using injected gas puffs), ECEI for imaging of electron temperature fluctuations, and multi-tipped Langmuir and magnetic probes for corroborating measurements of Reynolds and Maxwell stresses. Mode Characterization in CSDX: We have performed a series of experiments at the CSDX linear device at UCSD, in collaboration with Center PI G. Tynan's group. The experiments included a detailed study of velocity estimation techniques, including direct comparisons between Langmuir probes and image-based velocimetry from fast-framing camera data. We used the camera data in a second set of studies to identify the spatial and spectral structure of coherent modes, which illuminates wave behavior to a level of detail previously unavailable, and enables direct comparison of dispersion curves to theoretical estimates. In another CSDX study, similar techniques were used to demonstrate a controlled transition from nonlinearly coupled discrete eigenmodes to fully developed broadband turbulence. The axial magnetic field was varied from 40-240 mT, which drove the transition. At low magnetic fields, the plasma is dominated by drift waves. As the magnetic field is increased, a strong potential gradient at the edge introduces an ExB shear-driven instability. At the transition, another mode with signatures of a rotation-induced Rayleigh–Taylor instability appears at the central plasma region. Concurrently, large axial velocities were found in the plasma core. For larger magnetic fields, all of the instabilities co-exist, leading to rich plasma dynamics and fully developed broadband turbulence. Edge-Turbulence and Flow Experiments in NSTX: A series of Gas Puff Imaging (GPI) observations on NSTX revealed a quasi-periodic oscillation in the plasma edge preceding the L-H transition in a limited set of neutral beam heated plasmas. These ~3 kHz flow oscillations exhibit both long wavelength and long correlation lengths, suggesting they are zonal-flow-like. The flow oscillations are strongly correlated with modulations of the level of edge turbulence, thus the system appears to undergo a predator--prey-type limit-cycle preceding the L-H transition. However, a clear trigger for the L-H transition was not observed. Reynolds stress profiles were obtained directly from image velocimetry for L-mode periods ELM-Precursor Studies in NSTX: A separate study based on NSTX-GPI data captured the two-dimensional evolution of edge-localized mode (ELM) precursors. Precursor events were observed preceding ELMs and ELM-induced H–L back-transitions in radio-frequency heated H-mode plasmas, and the growth of the precursor mode through the ELM filamentation was imaged in the plane perpendicular to the local B-field. Strong edge intensity modulations appeared to propagate in the electron diamagnetic direction while steadily drifting radially outwards. Intensity fluctuations were observed at frequencies around 20 kHz and wavenumbers of 0.05-0.2 cm -1 . Upon growing to a trigger point, precursor fluctuations were seen to form filamentary structures and move into the scrape-off layer (SOL) explosively with radial velocities peaking at 8 km/s. Once in the SOL, filaments reverse their propagation direction and travel in the ion diamagnetic direction. Edge intensity fluctuations were strongly correlated with magnetic signals from Mirnov coils, and toroidally distributed coils estimated toroidal mode numbers of n=5-10. Quantitatively similar precursors have been observed in ohmic H-mode plasmas as well, though significantly fewer events are seen in the ohmic cases and none were observed in the near-threshold NBI H-modes studied. Development of Velocimetry and Image Analysis Techniques: Along with the experiments listed above, the Colorado group has continued to explore various velocimetry techniques and their range of validity. We have developed a “linear optical flow” code, which calculates smooth velocity maps while accurately assessing local regions of high curl. This is critical for separating spatial scales of velocity behavior, and thus transport. This code has recently come on-line, and we are currently using it to revisit a number of older datasets. Additionally, we have worked on developing pattern-recognition techniques for imaging diagnostics, based on established digital image compression algorithms. This has the potential to open the analysis of turbulent plasma behavior beyond the well-trodden Fourier and wavelet approaches. Finally, we have extended several of these image-analysis routines to multiple other diagnostic sets, including GPI datasets in NSTX and ECEI imaging on DIII-D. In one study, correlation maps were used to measure the full 2-D mode structure of drift-wave level structures using ECEI for the first time. This enabled direct comparison to gyrokinetic simulations using the GEM code, from which is was determined that TEM modes were being measured in DIII-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Research Essay for the Goldwater Scholarship Application

Oxygen is found in many natural and human-made structures and materials, including water, concrete, or any oxide. The severe lack of data on the cross section of 16 O(n,α), a reaction that can be found in any material containing oxygen, is detrimental to a complete understanding of the natural or induced behavior of these materials [HYL16]. Additionally, study of this particular reaction and other neutron-induced reactions involving oxygen are useful in the design of naval light water reactors and applications in radio-biology [HYL16]. A detailed understanding of the 16 O(n,α) reaction is vital to the safe and efficient study, design, and development of applications such as these. My consequent work at the Los Alamos National Laboratory (LANL), under the supervision of my mentor, Dr. Hye Young Lee, concerned an experiment to measure the reaction rate of 16 O(n,α) with unprecedented precision, using a method of experimentation known as the ”forward propagating approach.” What separates this method from traditional experimentation is in the use of computer simulations; in essence, this method entails the development of a computer-simulated experimental environment that behaves similarly to a corresponding physical experimental environment (the word ”similar” is used here to convey an equivalence in properties of materials, like geometry or density, and characteristics of certain nuclear processes between the simulated and physical environments). The simulated environment receives inputs, like detector resolution and efficiency, beam resolution, or theoretical calculations of cross sections, that are determined from physically measured results, and then output data that – provided the simulation was prepared and executed properly – closely resemble the results expected from physical execution of the experiment. By comparing data from the simulated experiment and the physical experiment, the relevant results can be constrained to achieve a high precision measurement. The goal of my mentor’s experiment–the experiment that I helped build and simulate–was to achieve a high precision measurement of the cross section of 16 O(n,α) using the forward propagating approach technique.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

What shapes the far-infrared spectral energy distributions of galaxies?

To explore the connection between the global physical properties of galaxies and their far-infrared (FIR) spectral energy distributions (SEDs), we study the variation in the FIR SEDs of a set of 51 hydrodynamically simulated galaxies, both mergers and isolated systems representative of low- and high-redshift galaxies, that are generated by performing dust radiative transfer in post-processing. We study the FIR SEDs using principal component (PC) analysis, and find that 97% of the variance in the sample can be explained by two PCs. The first PC characterizes the wavelength of the peak of the FIR SED, and the second encodes the breadth of the SED. We find that the coefficients of both PCs can be predicted well using a double power law in terms of the IR luminosity and dust mass, which suggests that these two physical properties are the primary determinants of galaxies’ FIR SED shapes. Incorporating galaxy sizes does not significantly improve our ability to predict the FIR SEDs. Our results suggest that the observed redshift evolution in the effective dust temperature at a fixed IR luminosity is not driven by geometry: the SEDs of z∼2−3 ultraluminous IR galaxies (ULIRGs) are cooler than those of local ULIRGs, not because the high-redshift galaxies are more extended, but rather because they have higher dust masses at fixed IR luminosity. Finally, based on our simulations, we introduce a two-parameter set of SED templates that depend on both IR luminosity and dust mass.

79 ASTRONOMY AND ASTROPHYSICS↗

The impossibly early galaxy problem

The current hierarchical merging paradigm and ΛCDM predict that the z∼4−8 universe should be a time in which the most massive galaxies are transitioning from their initial halo assembly to the later baryonic evolution seen in star-forming galaxies and quasars. However, no evidence of this transition has been found in many high-redshift galaxy surveys including CFHTLS, Cosmic Assembly Near-infrared Deep Extragalactic Survey (CANDELS), and Spitzer Large Area Survey with Hyper-Suprime-Cam (SPLASH), which were the first studies to probe the high-mass end at these redshifts. Indeed, if halo mass to stellar mass ratios estimated at lower-redshift continue to z∼6−8, CANDELS and SPLASH report several orders of magnitude more M∼10{sup 12−13}M{sub ⊙} halos than is possible to have been formed by those redshifts, implying that these massive galaxies formed impossibly early. We consider various systematics in the stellar synthesis models used to estimate physical parameters and possible galaxy formation scenarios in an effort to reconcile observation with theory. Although known uncertainties can greatly reduce the disparity between recent observations and cold dark matter merger simulations, there remains considerable tension with current theory even if taking the most conservative view of the observations.

79 ASTRONOMY AND ASTROPHYSICS↗

New Fitting Formula for Cosmic Nonlinear Density Distribution

We have measured the probability distribution function (PDF) of a cosmic matter density field from a suite of N-body simulations. We propose the generalized normal distribution of version 2 (N{sub v2}) as an alternative fitting formula to the well-known log-normal distribution. We find that N{sub v2} provides a significantly better fit than that of the log-normal distribution for all smoothing radii (2, 5, 10, 25 [Mpc h {sup −1}]) that we studied. The improvement is substantial in the underdense regions. The development of non-Gaussianities in the cosmic matter density field is captured by continuous evolution of the skewness and shift parameters of the N{sub v2} distribution. We present the redshift evolution of these parameters for aforementioned smoothing radii and various background cosmology models. All the PDFs measured from large and high-resolution N-body simulations that we use in this study can be obtained from the web site https://astro.kias.re.kr/jhshin.

79 ASTRONOMY AND ASTROPHYSICS↗

Physical Origins of Gas Motions in Galaxy Cluster Cores: Interpreting Hitomi Observations of the Perseus Cluster

The Hitomi X-ray satellite has provided the first direct measurements of the plasma velocity dispersion in a galaxy cluster. It finds a relatively “quiescent” gas with a line-of-sight velocity dispersion σ{sub v,los}≃160 km s{sup −1}, at 30–60 kpc from the cluster center. This is surprising given the presence of jets and X-ray cavities that indicates on-going activity and feedback from the active galactic nucleus (AGN) at the cluster center. Using a set of mock Hitomi observations generated from a suite of state-of-the-art cosmological cluster simulations, and an isolated but higher resolution simulation of gas physics in the cluster core, including the effects of cooling and AGN feedback, we examine the likelihood of Hitomi detecting a cluster with the observed velocities. As long as the Perseus has not experienced a major merger in the last few gigayears, and AGN feedback is operating in a “‘gentle” mode, we reproduce the level of gas motions observed by Hitomi. The frequent mechanical AGN feedback generates net line-of-sight velocity dispersions ∼100--200 km s{sup −1}, bracketing the values measured in the Perseus core. The large-scale velocity shear observed across the core, on the other hand, is generated mainly by cosmic accretion such as mergers. We discuss the implications of these results for AGN feedback physics and cluster cosmology and progress that needs to be made in both simulations and observations, including a Hitomi re-flight and calorimeter-based instruments with higher spatial resolution.

79 ASTRONOMY AND ASTROPHYSICS↗

The impact of unresolved turbulence on the escape fraction of Lyman Continuum photons

We investigate the relation between the turbulent Mach number (M) and the escape fraction of Lyman continuum photons (f{sub esc}) in high-redshift galaxies. Approximating the turbulence as isothermal and isotropic, we show that the increase in the variance in column densities from M=1 to M=10 causes f{sub esc} to increase by ≈25%, and the increase from M=1 to M=20 causes f{sub esc} to increases by ≈50% for a medium with opacity τ≈1. At a fixed Mach number, the correction factor for escape fraction relative to a constant column density case scales exponentially with the opacity in the cell, which has a large impact for simulated star-forming regions. Furthermore, in simulations of isotropic turbulence with full atomic/ionic cooling and chemistry, the fraction of HI drops by a factor of ≈2.5 at M≈10 even when the mean temperature is ≈5×10{sup 3} K. If turbulence is unresolved, these effects together enhance f{sub esc} by a factor >3 at Mach numbers above 10. Such Mach numbers are common at high redshifts where vigorous turbulence is driven by supernovae, gravitational instabilities, and merger activity, as shown both by numerical simulations and observations. These results, if implemented in the current hydrodynamical cosmological simulations to account for unresolved turbulence, can boost the theoretical predictions of the Lyman Continuum photon escape fraction and further constrain the sources of reionization.

79 ASTRONOMY AND ASTROPHYSICS↗

The twist of the draped interstellar magnetic field ahead of the heliopause: a magnetic reconnection driven rotational discontinuity

Based on the difference between the orientation of the interstellar B {sub ISM} and the solar magnetic fields, there was an expectation that the magnetic field direction would rotate dramatically across the heliopause (HP). However, the Voyager 1 spacecraft measured very little rotation across the HP. Previously, we showed that the B {sub ISM} twists as it approaches the HP and acquires a strong T component (east–west). Here, we establish that reconnection in the eastern flank of the heliosphere is responsible for the twist. On the eastern flank the solar magnetic field has twisted into the positive N direction and reconnects with the southward pointing component of the B {sub ISM}. Reconnection drives a rotational discontinuity (RD) that twists the B {sub ISM} into the −T direction and propagates upstream in the interstellar medium toward the nose. The consequence is that the N component of B {sub ISM} is reduced in a finite width band upstream of the HP. Voyager 1 currently measures angles (δ=sin{sup −1}(B{sub N}/B)) close to solar values. We present MHD simulations to support this scenario, suppressing reconnection in the nose region while allowing it in the flanks, consistent with recent ideas about reconnection suppression from diamagnetic drifts. The jump in plasma β (the plasma to magnetic pressure) across the nose of HP is much greater than in the flanks because the heliosheath β is greater there than in the flanks. Large-scale reconnection is therefore suppressed in the nose but not at the flanks. Simulation data suggest that B {sub ISM} will return to its pristine value 10–15 au past the HP.

79 ASTRONOMY AND ASTROPHYSICS↗

Simulating the Effect of Fracture Connectivity on Repository Performance with GDSA Framework - 18589

This work examines the possible migration of radionuclides from a deep geologic nuclear waste repository sited in fractured crystalline host rock. The key safety concern is the potential effect on waste isolation of the inter-connectivity of the fracture network, which is primarily established by the temporal evolution of the temperature and stress fields at the time of original rock intrusion and cooling. Two end members are considered in these simulations, one with a high degree of connectivity to the biosphere, such that advective transport through the fracture and fault network controls radionuclide migration, and the other with a low degree of connectivity, such that slow diffusive transport through the crystalline rock matrix is the controlling process for radionuclide migration to the biosphere. Both end members have several areally extensive, high-transmissivity deformation zones, whose distance to the repository is an important factor for waste isolation capability. Uncertainties in fracture properties (transmissivity, orientation, radius) and fracture distribution also give rise to uncertainty in waste isolation capability (i.e., the overall connectivity of the repository with the surface biosphere). These types of natural system uncertainties are generally present in any geologic site-characterization program and thus represent an important factor in assessing repository performance in hard rock environments. The waste considered in these simulations are spent fuel rod assemblies from the U.S. commercial nuclear reactor fleet. Thermal output of the waste must be considered in the simulations and can influence the rate and timing of waste package failure, waste form degradation, and fluid flux due to thermal expansion around the repository horizon. To achieve a high-fidelity representation of radionuclide transport in fractures and rock matrix, combined with thermal energy transport and fluid flow in fractures and matrix, the mathematical model is solved numerically in a parallel high-performance computing (HPC) environment on a finite volume unstructured grid consisting of approximately 5 million cells, using Geologic Disposal Safety Assessment (GDSA) Framework (https://pa.sandia.gov), an open-source performance assessment tool for deep underground disposal of nuclear waste. GDSA Framework uses PFLOTRAN to solve the balance equations on a three-dimensional grid with heterogeneous properties, using multiple processors in a parallel configuration based on domain decomposition. The fracture networks in these simulations are originally generated as discrete fracture networks (DFNs), which are sets of two-dimensional planes distributed in a three-dimensional domain. The method used in GDSA Framework maps the stochastically generated DFN to an equivalent continuous porous medium (ECPM) domain that allows for the simulation of coupled heat flow, fluid flow, and radionuclide transport, including heat conduction through the matrix of the fractured rock, which is a process not easily modeled in a DFN representation. Computational efficiency is also greatly enhanced using the ECPM method, allowing for a realistic representation and analysis of uncertainties in a multi-realization performance assessment of a deep geologic repository. The effect of fracture connectivity on the waste isolation safety function, as brought to light by these GDSA Framework simulations, points to the importance of including a realistic representation of uncertainties in fracture properties and distribution (effectively, uncertainty in spatial heterogeneity) in repository safety assessment simulations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Fabrication of New NFA-SiC Composites for Nuclear Applications

Cladding materials play the critical and fundamental function of fuel confinement during the safe operation of a nuclear power system. With the development of a new generation of nuclear reactors, investigation of the corresponding advanced cladding materials is attracting intensive scrutiny. Nanostructured ferritic alloy (NFA), which has excellent irradiation resistance and mechanical performance, is one primary candidate for future fission and fusion reactors. The NFA alloys are composed of nano-grained Fe-Cr alloy domains and Y-Ti-O-Cr-Fe enriched nano-clusters. The nano-clusters can not only prevent dislocation glide, grain growth, and grain boundary slip, but also act as sinks to trap helium atoms and radiation-generated point defects. In addition, NFAs can provide high temperature strength and prominent thermal stability, which are beneficial to nuclear cladding applications. Silicon carbide (SiC) is another nuclear cladding candidate. Due to its physical and chemical stability, it shows very good refractory properties at high temperatures up to 2000 deg. C, which has enabled its wide applications in combustion chamber and aerospace engines. In addition, SiC has the remarkable characteristic of radiation stability. SiCf/SiC composite has been developed as an alternative cladding material to metallic alloys. Theoretical simulation is also being developed to understand irradiation induced defects in SiC. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Combination of the Laguerre Transform with the Boundary-element Method for the Solution of Integral Equations with Retarded Kernel

We apply the Laguerre transform with respect to time to a time-dependent boundary-value integral equation encountered in the solution of three-dimensional Dirichlet initial-boundary-value problems for the homogeneous wave equation with homogeneous initial conditions by using the retarded potential of single layer. The obtained system of boundary integral equations is reduced to a sequence of Fredholm integral equations of the first kind that differ solely by the recursively dependent right-hand sides. To find their numerical solution, we use the boundary-element method. We establish an asymptotic estimate of the error of numerical solution and present the results of numerical simulations aimed at finding the solutions of retarded-potential integral equations for model examples.

97 MATHEMATICS AND COMPUTING↗

Comparison of Peptide Ion Conformers Arising from Non-Helical and Helical Peptides Using Ion Mobility Spectrometry and Gas-Phase Hydrogen/Deuterium Exchange

The dominant gas-phase conformer of [M+3H]{sup 3+} ions of the model peptide acetyl-PSSSSKSSSSKSSSSKSSSSK has been examined with ion mobility spectrometry (IMS), gas-phase hydrogen deuterium exchange (HDX), and mass spectrometry (MS) techniques. The [M+3H]{sup 3+} peptide ions are observed predominantly as a relatively compact conformer type. Upon subjecting these ions to electron transfer dissociation (ETD), the level of protection for each amino acid residue in the peptide sequence is assessed. The overall per-residue deuterium uptake is observed to be relatively more efficient for the neutral residues than for the model peptide acetyl-PAAAAKAAAAKAAAAKAAAAK. In comparison, the N-terminal and C-terminal regions of the serine peptide show greater relative protection compared with interior residues. Molecular dynamics (MD) simulations have been used to generate candidate structures for collision cross section and HDX reactivity matching. Hydrogen accessibility scoring (HAS) for select structural candidates from MD simulations has been used to suggest conformer types that could contribute to the observed HDX patterns. The results are discussed with respect to recent studies employing extensive MD simulations of gas-phase structure establishment of a peptide system. .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

What dynamics can be expected for mixed states in two-slit experiments?

Weak-measurement-based experiments (Kocsis et al., 2011) have shown that, at least for pure states, the average evolution of independent photons in Young’s two-slit experiment is in compliance with the trajectories prescribed by the Bohmian formulation of quantum mechanics. But, what happens if the same experiment is repeated assuming that the wave function associated with each particle is different, i.e., in the case of mixed (incoherent) states? This question is investigated here by means of two alternative numerical simulations of Young’s experiment, purposely devised to be easily implemented and tested in the laboratory. Contrary to what could be expected a priori, it is found that even for conditions of maximal mixedness or incoherence (total lack of interference fringes), experimental data will render a puzzling and challenging outcome: the average particle trajectories will still display features analogous to those for pure states, i.e., independently of how mixedness arises, the associated dynamics is influenced by both slits at the same time. Physically this simply means that weak measurements are not able to discriminate how mixedness arises in the experiment, since they only provide information about the averaged system dynamics. - Highlights: • The dynamics associated with mixture states in investigated by means of two simple Young’s two-slit models. • The models are prepared to be easily implemented and tested in the laboratory by means of weak measurements. • Bohmian mechanics has been generalized to encompass statistical mixtures. • Even for conditions of maximal mixedness numerical simulations show that the dynamics is strongly influenced by both slits. • Accordingly, weak measurements are unable to discriminate how mixedness arises in an experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

GPU accelerated flow solver for direct numerical simulation of turbulent flows

Graphical processing units (GPUs), characterized by significant computing performance, are nowadays very appealing for the solution of computationally demanding tasks in a wide variety of scientific applications. However, to run on GPUs, existing codes need to be ported and optimized, a procedure which is not yet standardized and may require non trivial efforts, even to high-performance computing specialists. In the present paper we accurately describe the porting to CUDA (Compute Unified Device Architecture) of a finite-difference compressible Navier–Stokes solver, suitable for direct numerical simulation (DNS) of turbulent flows. Porting and validation processes are illustrated in detail, with emphasis on computational strategies and techniques that can be applied to overcome typical bottlenecks arising from the porting of common computational fluid dynamics solvers. We demonstrate that a careful optimization work is crucial to get the highest performance from GPU accelerators. The results show that the overall speedup of one NVIDIA Tesla S2070 GPU is approximately 22 compared with one AMD Opteron 2352 Barcelona chip and 11 compared with one Intel Xeon X5650 Westmere core. The potential of GPU devices in the simulation of unsteady three-dimensional turbulent flows is proved by performing a DNS of a spatially evolving compressible mixing layer.

97 MATHEMATICS AND COMPUTING↗

Computationally-efficient stochastic cluster dynamics method for modeling damage accumulation in irradiated materials

An improved version of a recently developed stochastic cluster dynamics (SCD) method (Marian and Bulatov, 2012) [6] is introduced as an alternative to rate theory (RT) methods for solving coupled ordinary differential equation (ODE) systems for irradiation damage simulations. SCD circumvents by design the curse of dimensionality of the variable space that renders traditional ODE-based RT approaches inefficient when handling complex defect population comprised of multiple (more than two) defect species. Several improvements introduced here enable efficient and accurate simulations of irradiated materials up to realistic (high) damage doses characteristic of next-generation nuclear systems. The first improvement is a procedure for efficiently updating the defect reaction-network and event selection in the context of a dynamically expanding reaction-network. Next is a novel implementation of the τ-leaping method that speeds up SCD simulations by advancing the state of the reaction network in large time increments when appropriate. Lastly, a volume rescaling procedure is introduced to control the computational complexity of the expanding reaction-network through occasional reductions of the defect population while maintaining accurate statistics. The enhanced SCD method is then applied to model defect cluster accumulation in iron thin films subjected to triple ion-beam (Fe{sup 3+}, He{sup +} and H{sup +}) irradiations, for which standard RT or spatially-resolved kinetic Monte Carlo simulations are prohibitively expensive.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Well-posedness and generalized plane waves simulations of a 2D mode conversion model

Certain types of electro-magnetic waves propagating in a plasma can undergo a mode conversion process. In magnetic confinement fusion, this phenomenon is very useful to heat the plasma, since it permits to transfer the heat at or near the plasma center. This work focuses on a mathematical model of wave propagation around the mode conversion region, from both theoretical and numerical points of view. It aims at developing, for a well-posed equation, specific basis functions to study a wave mode conversion process. These basis functions, called generalized plane waves, are intrinsically based on variable coefficients. As such, they are particularly adapted to the mode conversion problem. The design of generalized plane waves for the proposed model is described in detail. Their implementation within a discontinuous Galerkin method then provides numerical simulations of the process. These first 2D simulations for this model agree with qualitative aspects studied in previous works.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗