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At least 37 records · Page 2

New particle pusher with hadronic interactions for modeling multimessenger emission from compact objects

We propose novel numerical schemes based on the Boris method in curved spacetime, incorporating both hadronic and radiative interactions for the first time. Once the proton has lost significant energy due to radiative and hadronic losses, and its gyroradius has decreased below typical scales on which the electromagnetic field varies, we apply a guiding center approximation (GCA). We fundamentally simulate collision processes either with a Monte-Carlo method or, where applicable, as a continuous energy loss, contingent on the local optical depth. To test our algorithm for the first time combining the effects of electromagnetic, gravitational, and radiation fields including hadronic interactions, we simulate highly relativistic protons traveling through various electromagnetic fields and proton backgrounds. We provide unit tests in various spatially dependent electromagnetic and gravitational fields and background photon and proton distributions, comparing the trajectory against analytic results. We propose that our method can be used to analyze hadronic interactions in black hole accretion disks, jets, and coronae to study the neutrino abundance from active galactic nuclei.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Investigation of Nitride Morphology After Self-Aligned Contact Etch

Self-Aligned Contact (SAC) etch has emerged as a key enabling technology for the fabrication of very large-scale memory devices. However, this is also a very challenging technology to implement from an etch viewpoint. The issues that arise range from poor oxide etch selectivity to nitride to problems with post etch nitride surface morphology. Unfortunately, the mechanisms that drive nitride loss and surface behavior remain poorly understood. Using a simple langmuir site balance model, SAC nitride etch simulations have been performed and compared to actual etched results. This approach permits the study of various etch mechanisms that may play a role in determining nitride loss and surface morphology. Particle trajectories and fluxes are computed using Monte-Carlo techniques and initial data obtained from double Langmuir probe measurements. Etched surface advancement is implemented using a shock tracking algorithm. Sticking coefficients and etch yields are adjusted to obtain the best agreement between actual etched results and simulated profiles.

Hwang, Helen H.

Molecular dynamics simulation of effects of solutes on dislocation propagation in Ni-based superalloys

Ni-based superalloys are used in the hot sections of jet turbine engines because of their high strength, stability and resistance to oxidation. The properties of these alloys can be further optimized by adding alloying elements. Therefore, a fundamental knowledge on the effect of different elements on properties of Ni-based superalloys is required. Molecular dynamics simulation could shed light here but its application is hindered by the absence of reliable and computationally cheap semi-empirical potential of the interatomic interaction for 4 and more element alloys. We will present a new Ni-Al-Cr-Nb Finnis-Sinclair (FS) potential specially designed to simulate the dislocation propagation from to  phase. In order to construct this potential, we designed a special algorithm to incorporate the data on element partitioning in the potential development procedure. For example, it is known from experiment, that Cr is mostly present in the gamma phase. Figure 1 shows a snapshot obtained after equilibration of the model of the Ni68Al17Cr15 alloy at T=1000 K using the hybrid Monte-Carlo (MC)/molecular dynamics (MD) simulation with the developed semi-empirical potential. One can clearly see that the Cr partitioning is in agreement with the experimental data. We will discuss the developed algorithm to incorporate the solute partition data in details. Using the developed semi-empirical potential, we first investigated the effect of anti-site defects in the  phase on the single dislocation propagation. It was found that the dislocation velocity increases with the increasing of the anti-site defect concentration. This effect was attributed to smaller number of Al-Al pairs forming during the dislocation migration in the presence of the anti-site defects. Next, we investigated the effect of Nb on the dislocation pair propagation in the Kolbe mechanism. It was found that the addition of Nb leads to considerable decrease in the dislocation propagation rate. This is in agreement with the experimental data on the effect of Nb on the creep resistance of the Ni-based superalloys. We will discuss the origin of this effect.

Mikhail I. Mendelev

Simulation of TGF-Beta Activation by Low-Dose HZE Radiation in a Cell Culture

High charge (Z) and energy (E) (HZE) nuclei comprised in the galactic cosmic rays are main contributors to space radiation risk. They induce many lesions in living matter such as non-specific oxidative damage and the double-strand breaks (DSBs), which are considered key precursors of early and late effects of radiation. There is increasing evidence that cells respond collectively rather than individually to radiation, suggesting the importance of cell signaling1. The transforming growth factor (TGF ) is a signaling peptide that is expressed in nearly all cell type and regulates a large array of cellular processes2. TGF have been shown to mediate cellular response to DNA damage3 and to induce apoptosis in non-irradiated cells cocultured with irradiated cells4. TFG molecules are secreted by cells in an inactive complex known as the latency-associated peptide (LAP). TGF is released from the LAP by a conformational change triggered by proteases, thrombospondin-1, integrins, acidic conditions and .OH radical5. TGF then binds to cells receptors and activates a cascade of events mediated by Smad proteins6, which might interfere with the repair of DNA. Meanwhile, increasingly sophisticated Brownian Dynamics (BD) algorithms have appeared recently in the literature7 and can be applied to study the interaction of molecules with receptors. These BD computer models have contributed to the elucidation of signal transduction, ligand accumulation and autocrine loops in the epidermal growth factor (EGF) and its receptor (EFGR) system8. To investigate the possible roles of TGF in an irradiated cell culture, our Monte-Carlo simulation codes of the radiation track structure9 will be used to calculate the activation of TFG triggered by .OH produced by low doses of HZE ions. The TGF molecules will then be followed by a BD algorithm in a medium representative of a cell culture to estimate the number of activated receptors.

Plante, Ianik

Integrated Modeling for Payload Test of the Roman Space Telescope

The Nancy Grace Roman Telescope (RST) is a NASA observatory designed to unravel the secrets of dark energy and dark matter, search for and image exoplanets, and explore many topics in infrared optics. Scheduled to launch in no earlier than October 2026, this 2.4 meter aperture telescope has a field of view 100 times greater than the Hubble Space Telescope. The mission is currently in its construction phase, where integrated modeling between thermal, structural, and optical models of the observatory is necessary to demonstrate science quality images over the range of operational parameters. This presentation discusses the most recent integrated modeling analysis cycle for Roman, including model correlation with our instrument level testing. We include a discussion on improved processes of the handling of the various flows of data between the modeling disciplines and discipline specific monte-carlo analysis predictions. We will finish with the predicted uncertainties and expected performance for our upcoming observatory alignment verification test using machine learning algorithms.

telescope

Design of a new squaring function for the Viterbi algorithm

A new algorithm and hardware implementation of the Viterbi squaring function was developed. The use of an approximation squaring technique preserves the Viterbi performance as is demonstrated by Monte-Carlo simulations. Additionally, the 16-bit approximate squaring implementation is expected to require one-fourth the area and operate at three times the speed of the conventional squaring implementation.

Eshraghi, Aria

Multivariate Error Covariance Estimates by Monte-Carlo Simulation for Assimilation Studies in the Pacific Ocean

One of the most difficult aspects of ocean state estimation is the prescription of the model forecast error covariances. The paucity of ocean observations limits our ability to estimate the covariance structures from model-observation differences. In most practical applications, simple covariances are usually prescribed. Rarely are cross-covariances between different model variables used. Here a comparison is made between a univariate Optimal Interpolation (UOI) scheme and a multivariate OI algorithm (MvOI) in the assimilation of ocean temperature. In the UOI case only temperature is updated using a Gaussian covariance function and in the MvOI salinity, zonal and meridional velocities as well as temperature, are updated using an empirically estimated multivariate covariance matrix. Earlier studies have shown that a univariate OI has a detrimental effect on the salinity and velocity fields of the model. Apparently, in a sequential framework it is important to analyze temperature and salinity together. For the MvOI an estimation of the model error statistics is made by Monte-Carlo techniques from an ensemble of model integrations. An important advantage of using an ensemble of ocean states is that it provides a natural way to estimate cross-covariances between the fields of different physical variables constituting the model state vector, at the same time incorporating the model's dynamical and thermodynamical constraints as well as the effects of physical boundaries. Only temperature observations from the Tropical Atmosphere-Ocean array have been assimilated in this study. In order to investigate the efficacy of the multivariate scheme two data assimilation experiments are validated with a large independent set of recently published subsurface observations of salinity, zonal velocity and temperature. For reference, a third control run with no data assimilation is used to check how the data assimilation affects systematic model errors. While the performance of the UOI and MvOI is similar with respect to the temperature field, the salinity and velocity fields are greatly improved when multivariate correction is used, as evident from the analyses of the rms differences of these fields and independent observations. The MvOI assimilation is found to improve upon the control run in generating the water masses with properties close to the observed, while the UOI failed to maintain the temperature and salinity structure.

Borovikov, Anna

Monte-Carlo methods make Dempster-Shafer formalism feasible

One of the main obstacles to the applications of Dempster-Shafer formalism is its computational complexity. If we combine m different pieces of knowledge, then in general case we have to perform up to 2(sup m) computational steps, which for large m is infeasible. For several important cases algorithms with smaller running time were proposed. We prove, however, that if we want to compute the belief bel(Q) in any given query Q, then exponential time is inevitable. It is still inevitable, if we want to compute bel(Q) with given precision epsilon. This restriction corresponds to the natural idea that since initial masses are known only approximately, there is no sense in trying to compute bel(Q) precisely. A further idea is that there is always some doubt in the whole knowledge, so there is always a probability p(sub o) that the expert's knowledge is wrong. In view of that it is sufficient to have an algorithm that gives a correct answer a probability greater than 1-p(sub o). If we use the original Dempster's combination rule, this possibility diminishes the running time, but still leaves the problem infeasible in the general case. We show that for the alternative combination rules proposed by Smets and Yager feasible methods exist. We also show how these methods can be parallelized, and what parallelization model fits this problem best.

Kreinovich, Vladik YA.

Remote sensing of chlorophyll concentration: State-of-the-art, 1975

Remote measurement of chlorophyll concentration of the world's oceans from satellite observations could potentially be extremely useful for assessments of productivity in large areas for which measurements by other means would be impractical. The basis of these measurements rests with the physics of the interaction of light with material dissolved and suspended in the water. It is theoretically possible to predict the nature of light upwelled from the ocean surface from a solution to the radiative transfer equation. Practically, however, this is difficult. Monte-Carlo methods presently are thought to be the most viable method to treat the general theoretical problem. With restrictive assumptions of the nature of scattering, it is possible to construct simpler models. Algorithms developed to relate chlorophyll concentration (or some other parameter, i.e., seechi depth) to the upwelled light spectrum are discussed.

Atwell, B. H.

Energy Models for One-Carrier Transport in Semiconductor Devices

Moment models of carrier transport, derived from the Boltzmann equation, made possible the simulation of certain key effects through such realistic assumptions as energy dependent mobility functions. This type of global dependence permits the observation of velocity overshoot in the vicinity of device junctions, not discerned via classical drift-diffusion models, which are primarily local in nature. It was found that a critical role is played in the hydrodynamic model by the heat conduction term. When ignored, the overshoot is inappropriately damped. When the standard choice of the Wiedemann-Franz law is made for the conductivity, spurious overshoot is observed. Agreement with Monte-Carlo simulation in this regime required empirical modification of this law, or nonstandard choices. Simulations of the hydrodynamic model in one and two dimensions, as well as simulations of a newly developed energy model, the RT model, are presented. The RT model, intermediate between the hydrodynamic and drift-diffusion model, was developed to eliminate the parabolic energy band and Maxwellian distribution assumptions, and to reduce the spurious overshoot with physically consistent assumptions. The algorithms employed for both models are the essentially non-oscillatory shock capturing algorithms. Some mathematical results are presented and contrasted with the highly developed state of the drift-diffusion model.

Jerome, Joseph W.

New Modeling Approaches to Investigate Cell Signaling in Radiation Response

Ionizing radiation damages individual cells and tissues leading to harmful biological effects. Among many radiation-induced lesions, DNA double-strand breaks (DSB) are considered the key precursors of most early and late effects [1] leading to direct mutation or aberrant signal transduction processes. In response to damage, a flow of information is communicated to cells not directly hit by the radiation through signal transduction pathways [2]. Non-targeted effects (NTE), which includes bystander effects and genomic instability in the progeny of irradiated cells and tissues, may be particularly important for space radiation risk assessment [1], because astronauts are exposed to a low fluence of heavy ions and only a small fraction of cells are traversed by an ion. NTE may also have important consequences clinical radiotherapy [3]. In the recent years, new simulation tools and modeling approaches have become available to study the tissue response to radiation. The simulation of signal transduction pathways require many elements such as detailed track structure calculations, a tissue or cell culture model, knowledge of biochemical pathways and Brownian Dynamics (BD) propagators of the signaling molecules in their micro-environment. Recently, the Monte-Carlo simulation code of radiation track structure RITRACKS was used for micro and nano-dosimetry calculations [4]. RITRACKS will be used to calculate the fraction of cells traversed by an ion and delta-rays and the energy deposited in cells in a tissue model. RITRACKS also simulates the formation of chemical species by the radiolysis of water [5], notably the .OH radical. This molecule is implicated in DNA damage and in the activation of the transforming growth factor beta (TGF), a signaling molecule involved in NTE. BD algorithms for a particle near a membrane comprising receptors were also developed and will be used to simulate trajectories of signaling molecules in the micro-environment and characterize autocrine and paracrine cell communication and signal transduction.

Plante, Ianik

SWIPE: Spectral Water Inversion Processor and Emulator

Degradation of Earth’s inland water resources due to anthropogenic perturbations and climate anomalies at both local and global scales continues to place human health at substantial risk. There is now a growing necessity to develop pragmatic approaches that allow timely and effective extrapolation of local processes, to spatially resolved global products, and to promote operational and sustainable resource policy management. This presentation will be discussing the progress made developing SWIPE: Spectral Water Inversion Processor and Emulator. SWIPE is a platform for advanced modeling of coastal and inland aquatic habitats. The goal is create a comprehensive and cohesive system to leverage recent advancements in computation and machine learning to develop a synthetic training ground for sensitivity studies and algorithm development. The four principal facets of SWIPE include: 1. Advanced two-layer coated sphere bio-optical modeling and GPU radiative transfer modeling, 2. Big Data involving massive synthetic spectral libraries of optical properties of various global aquatic particles, surface reflectance, and top-of-atmosphere reflectance, all at hyperspectral resolution leveraging high-end computing systems at NASA Ames Research Center, 3. Deep Learning for algorithm development for water quality inversion of concentrations of common biogeophysical variables as well as optics, full uncertainty characterization by water type, and forward emulation, and lastly, 4. Image Processing for application of developed retrieval algorithms for both hyperspectral and multispectral sensors with experimental corrections for global adjacency, noise, sunglint, and benthic reflectance. This presentation will demonstrate the Equivalent Algal Populations (EAP) two-layer coated sphere scattering model which has been used develop spectral libraries of hyperspectral inherent optical properties of roughly 80 species of phytoplankton, covering 15 different classes and nine taxonomic functional types. The EAP model was also used to derive spectral properties of 10 different non-algal particle functional types. Examples of how the SMART-G (Speed-up Monte-carlo Advanced Radiative Transfer using GPU) radiative transfer code is used to model optically complex aquatic signals will be presented and discussed in the context of creating a massive synthetic database which can leverage the full power of next generation machine learning techniques and high end computing for water quality inversion. We will discuss our active investigation in things like appropriate model architectures, dimensionality reduction techniques such as PCA and autoencoders, uncertainty quantification and abstaining, and which variables actually benefit most from hyperspectral information versus multispectral resolution. We are also curious about questions relating to cost/benefit analysis in terms of computation resources, neural network complexity, and data volumes. Answers to these questions will hopefully elaborate on cost efficiency for potential future sensor design considerations.

SWIPE

An Empirical Comparison between Two Recursive Filters for Attitude and Rate Estimation of Spinning Spacecraft

The advantages of inducing a constant spin rate on a spacecraft are well known. A variety of science missions have used this technique as a relatively low cost method for conducting science. Starting in the late 1970s, NASA focused on building spacecraft using 3-axis control as opposed to the single-axis control mentioned above. Considerable effort was expended toward sensor and control system development, as well as the development of ground systems to independently process the data. As a result, spinning spacecraft development and their resulting ground system development stagnated. In the 1990s, shrinking budgets made spinning spacecraft an attractive option for science. The attitude requirements for recent spinning spacecraft are more stringent and the ground systems must be enhanced in order to provide the necessary attitude estimation accuracy. Since spinning spacecraft (SC) typically have no gyroscopes for measuring attitude rate, any new estimator would need to rely on the spacecraft dynamics equations. One estimation technique that utilized the SC dynamics and has been used successfully in 3-axis gyro-less spacecraft ground systems is the pseudo-linear Kalman filter algorithm. Consequently, a pseudo-linear Kalman filter has been developed which directly estimates the spacecraft attitude quaternion and rate for a spinning SC. Recently, a filter using Markley variables was developed specifically for spinning spacecraft. The pseudo-linear Kalman filter has the advantage of being easier to implement but estimates the quaternion which, due to the relatively high spinning rate, changes rapidly for a spinning spacecraft. The Markley variable filter is more complicated to implement but, being based on the SC angular momentum, estimates parameters which vary slowly. This paper presents a comparison of the performance of these two filters. Monte-Carlo simulation runs will be presented which demonstrate the advantages and disadvantages of both filters.

Harman, Richard R.

GPU-friendly surface model for Monte-Carlo detector simulations

The demands for Monte-Carlo simulation are drastically increasing with the Large Hadron Collider’s high-luminosity upgrade, and are expected to exceed the currently available compute resources. At the same time, modern high-performance computing has adopted powerful hardware accelerators, particularly GPUs. The AdePT and Celeritas projects aim to address the demanding computational needs by leveraging these heterogeneous computing architectures. While both have successfully ported realistic detector simulations to GPUs using the VecGeom library, the complexity of geometry modeling emerged as a bottleneck. Thread divergence and high register usage were degrading the GPU performance. Therefore, a new, GPU-friendly surface-based model has been introduced in the VecGeom library that decomposes the divergent code of the 3D primitive solids into simpler and more balanced surface algorithms. In this work, we present the latest developments, focusing on the additions required to efficiently model complex setups like the CMS Phase-2 geometry. This includes memory reduction techniques, and adding accelerating structures for faster traversal.

Diederichs, Severin [CERN]

Simultaneous Development and Robust Optimization of a Microstructure Dependent Material

Recent microstructure characterization techniques combined with Symbolic Regression(SR)analysis has been proven to generate white box plasticity models well suited for incorporation into FEA software.The current work builds upon those efforts and demonstrates the applicability of Sequential Monte-Carlo (SMC) methods within SR analysis to condense model development and robust optimization into a single, co-dependent process. In this project, SMC methods provide a mechanism through which the observed microstructure features and associated variability can be incorporated into the discovery phase of model development and simultaneously recover approximate parameter distributions through SR analysis. The demonstration utilized a data set consisting of tensile test results from a limited number of sample specimens with corresponding EBSD data from which microstructure features were characterized.The maximum threshold stress model in the Visco-Plastic Self-Consistent (VPSC) code developed by Los Alamos National Laboratories was calibrated using mechanical test data.Synthetic volume elements with statistically equivalent microstructure were generated with DREAM3Dbased on the observed EBSD data. VPSC was used to simulate the corresponding tensile test response for each of the synthetic volume elements. The simulated microstructure and tensile test data was used astraining datafor SMC-SR algorithm and the resulting model was validated with data from the original empirical data set.

Karl Garbrecht

Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM SciDAC) (Technical Final Report)

Runaway electrons can severely damage the plasma facing components on ITER during a major disruption and pose a major risk for tokamak fusion. It has been recognized that an adequate disruption mitigation system (DMS) is essential for the safe operation of ITER. The United States is responsible for the design and implementation of the disruption mitigation system on ITER, and in July 2016 the Simulation Center for Runaway Electron Avoidance and Mitigation (SCREAM) was launched by DOE, in a joint Fusion Energy Sciences (FES) and Advanced Scientific Computing Research (ASCR) collaboration. SCREAM was a comprehensive theory and simulation SciDAC center that provided physics guidance in the avoidance and mitigation of runaway electrons, and in tandem with domestic and international experiments, helped establish the qualitative and quantitative bases for safe operational scenarios and viable mitigation techniques. The SCREAM center assembled a national team of experts in runaway electron physics, tokamak disruptions, magnetohydrodynamic (MHD) simulation, and advanced algorithms and computing. The team combined advanced simulation and analysis capability facilitated by direct participation of ASCR SciDAC institutes with theoretical models and code development by FES scientists to focus on the runaway risk for ITER and tokamaks in general. The research scope was focussed on integrated simulations of kinetic runaway electrons, including MHD and fluid models of impurity transport, within a research plan guided by theory. The specific research tasks were (1) establish the fundamental physics of runaway generation, saturation, and dynamical evolution in a tokamak; (2) examine the critical path toward runaway avoidance; and (3) investigate the viability and effectiveness of the leading candidate schemes for runaway mitigation. In all three areas, members of the team carried out scoping studies that established the readiness for rapid and critical advances, especially in the deployment and further development of large-to extreme-scale simulation tools. Our multi-pronged computational approach included (1) relativistic Fokker-Planck solvers with discretization in phase space, (2) self-consistent particle-in-cell techniques, (3) particle-based Monte-Carlo, and (4) MHD-particle hybrid simulations. Cross-check between these different methods provided an additional means for verification and further bolstered the fidelity of our physics prediction. Validation against experimental results brings confidence to the predictive capability for ITER and frequently leads to new ideas for understanding and mitigating the thermal quench driven runaway electron phenomenon.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Bounding the risk of crew loss following orbital debris penetration of the International Space Station at assembly stages 1J and 1E

Orbital debris impacts on the International Space Station occur frequently. To date, none of the impacting particles has been large enough to penetrate manned pressurized volumes. We used the Manned Spacecraft Crew Survivability code to evaluate the risk to crew of penetrations of pressurized modules at two assembly stages: after Flight 1J, when the pressurized elements of Kibo, the Japanese Experiment Module, are present, and after Flight 1E, when the European Columbus Module is present. Our code is a Monte-Carlo simulation of impacts on the Station that considers several potential event types that could lead to crew loss. Among the statistics tabulated by the program is the probability of death of one or more crew members in the event of a penetration, expressed as the risk factor, R. This risk factor is dependent on details of crew operations during both ordinary circumstances and decompression emergencies, as well as on details of internal module configurations. We conducted trade studies considering these procedure and configuration details to determine the bounds on R at the 1J and 1E stages in the assembly sequence. Here we compare the R-factor bounds, and procedures could that reduce R at these stages. Published by Elsevier Ltd on behalf of COSPAR.

Models, Theoretical

On-Orbit Multi-Field Wavefront Control with a Kalman Filter

A document describes a multi-field wavefront control (WFC) procedure for the James Webb Space Telescope (JWST) on-orbit optical telescope element (OTE) fine-phasing using wavefront measurements at the NIRCam pupil. The control is applied to JWST primary mirror (PM) segments and secondary mirror (SM) simultaneously with a carefully selected ordering. Through computer simulations, the multi-field WFC procedure shows that it can reduce the initial system wavefront error (WFE), as caused by random initial system misalignments within the JWST fine-phasing error budget, from a few dozen micrometers to below 50 nm across the entire NIRCam Field of View, and the WFC procedure is also computationally stable as the Monte-Carlo simulations indicate. With the incorporation of a Kalman Filter (KF) as an optical state estimator into the WFC process, the robustness of the JWST OTE alignment process can be further improved. In the presence of some large optical misalignments, the Kalman state estimator can provide a reasonable estimate of the optical state, especially for those degrees of freedom that have a significant impact on the system WFE. The state estimate allows for a few corrections to the optical state to push the system towards its nominal state, and the result is that a large part of the WFE can be eliminated in this step. When the multi-field WFC procedure is applied after Kalman state estimate and correction, the stability of fine-phasing control is much more certain. Kalman Filter has been successfully applied to diverse applications as a robust and optimal state estimator. In the context of space-based optical system alignment based on wavefront measurements, a KF state estimator can combine all available wavefront measurements, past and present, as well as measurement and actuation error statistics to generate a Maximum-Likelihood optimal state estimator. The strength and flexibility of the KF algorithm make it attractive for use in real-time optical system alignment when WFC alone cannot effectively align the system.

Lou, John