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DOE OSTI2014

From the Weyl quantization of a particle on the circle to number–phase Wigner functions

A generalized Weyl quantization formalism for a particle on the circle is shown to supply an effective method for defining the number–phase Wigner function in quantum optics. A Wigner function for the state ϱ{sup ^} and the kernel K for a particle on the circle is defined and its properties are analysed. Then it is shown how this Wigner function can be easily modified to give the number–phase Wigner function in quantum optics. Some examples of such number–phase Wigner functions are considered.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Large-scale GW calculations on pre-exascale HPC systems

The ab initio GW approach is a rigorous Green’s-function-based framework that can be employed to compute electronic excitation properties of a wide variety of materials such as extended systems, molecules, as well as confined and nanostructured materials with a very satisfactory accuracy. However, GW calculations on complex systems are often hindered by the high computational cost associated with the method. Here, in this study, we demonstrate how to significantly speedup GW calculations with a novel algorithm for the computationally intense kernel based on a non-blocking chunked cyclic communication scheme that minimizes latency in MPI messages, allows for overlapping of communication and computation, and improves cache usage in matrix multiplication operations. The optimized version of the code, implemented in the BerkeleyGW software package, is capable of scaling well to the full Cori computer at NERSC (Cray XC40) and achieves over 11 Peta FLOP/s of sustained performance. We showcase our work by performing large-scale GW calculations of defect structures on silicon, which require simulation cells containing over 1700 atoms, and which can now be efficiently executed in just a few minutes on large pre-exascale high-performance computing systems.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2001

Laser Ignition Technology for Bi-Propellant Rocket Engine Applications

The fiber optically coupled laser ignition approach summarized is under consideration for use in igniting bi-propellant rocket thrust chambers. This laser ignition approach is based on a novel dual pulse format capable of effectively increasing laser generated plasma life times up to 1000 % over conventional laser ignition methods. In the dual-pulse format tinder consideration here an initial laser pulse is used to generate a small plasma kernel. A second laser pulse that effectively irradiates the plasma kernel follows this pulse. Energy transfer into the kernel is much more efficient because of its absorption characteristics thereby allowing the kernel to develop into a much more effective ignition source for subsequent combustion processes. In this research effort both single and dual-pulse formats were evaluated in a small testbed rocket thrust chamber. The rocket chamber was designed to evaluate several bipropellant combinations. Optical access to the chamber was provided through small sapphire windows. Test results from gaseous oxygen (GOx) and RP-1 propellants are presented here. Several variables were evaluated during the test program, including spark location, pulse timing, and relative pulse energy. These variables were evaluated in an effort to identify the conditions in which laser ignition of bi-propellants is feasible. Preliminary results and analysis indicate that this laser ignition approach may provide superior ignition performance relative to squib and torch igniters, while simultaneously eliminating some of the logistical issues associated with these systems. Further research focused on enhancing the system robustness, multiplexing, and window durability/cleaning and fiber optic enhancements is in progress.

Thomas, Matthew E.↗

NASA NTRS2021

Retrieval Algorithm for the Column CO2 Mixing Ratio from Pulsed Multi-Wavelength Lidar Measurements

The retrieval algorithm for the column mixing ratio of CO2 from the measurements of a pulsed multi-wavelength integrated path differential absorption (IPDA) lidar is described. The lidar samples the shape of the 1572.33 nm CO2 absorption line at 15 or 30 wavelengths. The algorithm uses a least-squares fit between the CO2 line shape computed from a layered 10 atmosphere model to that sampled by the lidar. In addition to the column average CO2 dry air mole fraction (XCO2), several other parameters are also solved simultaneously from the fit. These include the Doppler shift in the received laser signal wavelengths, the product of the surface reflectivity and atmospheric transmission and a linear trend in the lidar receiver’s spectral response. The algorithm can also be used to solve for the average water vapor mixing ratio, which causes a secondary absorption in the wings of the CO2 absorption line under high humidity conditions. The least-squares fit is linearized about the 15 expected XCO2 value which allows the use of a standard linear least-squares fitting method and software tools. The standard deviation of the retrieved XCO2 is obtained from covariance matrix of the fit. An averaging kernel is defined similarly to that used for passive trace-gas sounding. Examples are presented of using the algorithm to retrieve XCO2 from the measurements from NASA Goddard’s airborne CO2 Sounder lidar made at a constant altitude and during spiral-down maneuvers.

Xiaoli Sun↗

DOE OSTI2017

Behavior-based approach to misuse detection of a simulated SCADA system - 339

This paper presents the initial findings in applying a behavior-based approach for detection of unauthorized activities in a simulated Supervisory Control and Data Acquisition (SCADA) system. Misuse detection of this type utilizes fault-free system telemetry to develop empirical models that learn normal system behavior. Future monitored telemetry sources that show statistically significant deviations from this learned behavior may indicate an attack or other unwanted actions. The experimental test bed consists of a set of Linux based enterprise servers that were isolated from a larger university research cluster. All servers are connected to a private network and simulate several components and tasks seen in a typical SCADA system. Telemetry sources included kernel statistics, resource usages and internal system hardware measurements. For this study, the Auto Associative Kernel Regression (AAKR) and Auto Associative Multivariate State Estimation Technique (AAMSET) are employed to develop empirical models. Prognostic efficacy of these methods for computer security used several groups of signals taken from available telemetry classes. The Sequential Probability Ratio Test (SPRT) is used along with these models for intrusion detection purposes. The different intrusion types shown include host/network discovery, DoS, brute force login, privilege escalation and malicious exfiltration actions. For this study, all intrusion types tested displayed alterations in the residuals of much of the monitored telemetry and were able to be detected in all signal groups used by both model types. The methods presented can be extended and implemented to industries besides nuclear that use SCADA or business-critical networks. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

A massively parallel and scalable multi-CPU material point method

Harnessing the power of modern multi-GPU architectures, we present a massively parallel simulation system based on the Material Point Method (MPM) for simulating physical behaviors of materials undergoing complex topological changes, self-collision, and large deformations. Our system makes three critical contributions. First, we introduce a new particle data structure that promotes coalesced memory access patterns on the GPU and eliminates the need for complex atomic operations on the memory hierarchy when writing particle data to the grid. Second, we propose a kernel fusion approach using a new Grid-to-Particles-to-Grid (G2P2G) scheme, which efficiently reduces GPU kernel launches, improves latency, and significantly reduces the amount of global memory needed to store particle data. Finally, we introduce optimized algorithmic designs that allow for efficient sparse grids in a shared memory context, enabling us to best utilize modern multi-GPU computational platforms for hybrid Lagrangian-Eulerian computational patterns. We demonstrate the effectiveness of our method with extensive benchmarks, evaluations, and dynamic simulations with elastoplasticity, granular media, and fluid dynamics. In comparisons against an open-source and heavily optimized CPU-based MPM codebase [Fang et al. 2019] on an elastic sphere colliding scene with particle counts ranging from 5 to 40 million, our GPU MPM achieves over 100x per-time-step speedup on a workstation with an Intel 8086K CPU and a single Quadro P6000 GPU, exposing exciting possibilities for future MPM simulations in computer graphics and computational science. Moreover, compared to the state-of-the-art GPU MPM method [Hu et al. 2019a], we not only achieve 2x acceleration on a single GPU but our kernel fusion strategy and Array-of-Structs-of-Array (AoSoA) data structure design also generalizes to multi-GPU systems. Our multi-GPU MPM exhibits near-perfect weak and strong scaling with 4 GPUs, enabling performant and large-scale simulations on a 10243 grid with close to 100 million particles with less than 4 minutes per frame on a single 4-GPU workstation and 134 million particles with less than 1 minute per frame on an 8-GPU workstation.

Wang, Xinlei↗

DOE OSTI2022

Quantitative Performance Assessment of Proxy Apps and Parents (Report for ECP Proxy App Project Milestone ADCD-504-28)

The ECP Proxy Application Project has an annual milestone to assess the state of ECP proxy applications and their role in the overall ECP ecosystem. Our FY22 March/April milestone (ADCD- 504-28) proposed to: Assess the fidelity of proxy applications compared to their respective parents in terms of kernel and I/O behavior, and predictability. Similarity techniques will be applied for quantitative comparison of proxy/parent kernel behavior. MACSio evaluation will continue and support for OpenPMD backends will be explored. The execution time predictability of proxy apps with respect to their parents will be explored through a carefully designed scaling study and code comparisons. Note that in this FY, we also have quantitative assessment milestones that are due in September and are, therefore, not included in the description above or in this report. Another report on these deliverables will be generated and submitted upon completion of these milestones. To satisfy this milestone, the following specific tasks were completed: Study the ability of MACSio to represent I/O workloads of adaptive mesh codes. Re-define the performance counter groups for contemporary Intel and IBM platforms to better match specific hardware components and to better align across platforms (make cross-platform comparison more accurate). Perform cosine similarity study based on the new performance counter groups on the Intel and IBM P9 platforms. Perform detailed analysis of performance counter data to accurately average and align the data to maintain phases across all executions and develop methods to reduce the set of collected performance counters used in cosine similarity analysis. Apply a quantitative similarity comparison between proxy and parent CPU kernels. Perform scaling studies to understand the accuracy of predictability of the parent performance using its respective proxy application. This report presents highlights of these efforts.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Spectrotemporal CT data acquisition and reconstruction at low dose

Purpose: X-ray computed tomography (CT) is widely used, both clinically and preclinically, for fast, high-resolution anatomic imaging; however, compelling opportunities exist to expand its use in functional imaging applications. For instance, spectral information combined with nanoparticle contrast agents enables quantification of tissue perfusion levels, while temporal information details cardiac and respiratory dynamics. The authors propose and demonstrate a projection acquisition and reconstruction strategy for 5D CT (3D + dual energy + time) which recovers spectral and temporal information without substantially increasing radiation dose or sampling time relative to anatomic imaging protocols. Methods: The authors approach the 5D reconstruction problem within the framework of low-rank and sparse matrix decomposition. Unlike previous work on rank-sparsity constrained CT reconstruction, the authors establish an explicit rank-sparse signal model to describe the spectral and temporal dimensions. The spectral dimension is represented as a well-sampled time and energy averaged image plus regularly undersampled principal components describing the spectral contrast. The temporal dimension is represented as the same time and energy averaged reconstruction plus contiguous, spatially sparse, and irregularly sampled temporal contrast images. Using a nonlinear, image domain filtration approach, the authors refer to as rank-sparse kernel regression, the authors transfer image structure from the well-sampled time and energy averaged reconstruction to the spectral and temporal contrast images. This regularization strategy strictly constrains the reconstruction problem while approximately separating the temporal and spectral dimensions. Separability results in a highly compressed representation for the 5D data in which projections are shared between the temporal and spectral reconstruction subproblems, enabling substantial undersampling. The authors solved the 5D reconstruction problem using the split Bregman method and GPU-based implementations of backprojection, reprojection, and kernel regression. Using a preclinical mouse model, the authors apply the proposed algorithm to study myocardial injury following radiation treatment of breast cancer. Results: Quantitative 5D simulations are performed using the MOBY mouse phantom. Twenty data sets (ten cardiac phases, two energies) are reconstructed with 88 μm, isotropic voxels from 450 total projections acquired over a single 360° rotation. In vivo 5D myocardial injury data sets acquired in two mice injected with gold and iodine nanoparticles are also reconstructed with 20 data sets per mouse using the same acquisition parameters (dose: ∼60 mGy). For both the simulations and the in vivo data, the reconstruction quality is sufficient to perform material decomposition into gold and iodine maps to localize the extent of myocardial injury (gold accumulation) and to measure cardiac functional metrics (vascular iodine). Their 5D CT imaging protocol represents a 95% reduction in radiation dose per cardiac phase and energy and a 40-fold decrease in projection sampling time relative to their standard imaging protocol. Conclusions: Their 5D CT data acquisition and reconstruction protocol efficiently exploits the rank-sparse nature of spectral and temporal CT data to provide high-fidelity reconstruction results without increased radiation dose or sampling time.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2014

SU-E-T-299: Small Fields Profiles Correction Through Detectors Spatial Response Functions and Field Size Dependence Analysis

Purpose: To calculate the spatial response function of various radiation detectors, to evaluate the dependence on the field size and to analyze the small fields profiles corrections by deconvolution techniques. Methods: Crossline profiles were measured on a Novalis Tx 6MV beam with a HDMLC. The configuration setup was SSD=100cm and depth=5cm. Five fields were studied (200×200mm2,100×100mm2, 20×20mm2, 10×10mm2and 5×5mm2) and measured were made with passive detectors (EBT3 radiochromic films and TLD700 thermoluminescent detectors), ionization chambers (PTW30013, PTW31003, CC04 and PTW31016) and diodes (PTW60012 and IBA SFD). The results of passive detectors were adopted as the actual beam profile. To calculate the detectors kernels, modeled by Gaussian functions, an iterative process based on a least squares criterion was used. The deconvolutions of the measured profiles were calculated with the Richardson-Lucy method. Results: The profiles of the passive detectors corresponded with a difference in the penumbra less than 0.1mm. Both diodes resolve the profiles with an overestimation of the penumbra smaller than 0.2mm. For the other detectors, response functions were calculated and resulted in Gaussian functions with a standard deviation approximate to the radius of the detector in study (with a variation less than 3%). The corrected profiles resolve the penumbra with less than 1% error. Major discrepancies were observed for cases in extreme conditions (PTW31003 and 5×5mm2 field size). Conclusion: This work concludes that the response function of a radiation detector is independent on the field size, even for small radiation beams. The profiles correction, using deconvolution techniques and response functions of standard deviation equal to the radius of the detector, gives penumbra values with less than 1% difference to the real profile. The implementation of this technique allows estimating the real profile, freeing from the effects of the detector used for the acquisition.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Inverse Mapping of the Collision Kernel and Wall Flux Scaling in a Tall Convection‐Cloud Chamber Using Local Sensors and Knowledge‐Informed Deep Learning

Droplet collision–coalescence is a crucial process in cloud physics, but accurately representing this process under different dynamical conditions remains challenging. A proposed future convective‐cloud chamber aims to investigate this key process, but the method for observing it remains unclear, even though it is theoretically established that collision‐coalescence will occur. This study serves as a proof‐of‐concept demonstration of how knowledge‐informed deep learning, combined with measurement data from local sensors in the chamber, can be used to estimate the collision kernels, which determine how the droplet size distribution evolves during collision‐coalescence. In addition to estimating the collision kernel, we also address wall fluxes, another uncertain but important process that acts as a source of heat and moisture in the chamber. Ensemble runs of large‐eddy simulations are conducted by scaling the wall fluxes and the collision kernel, while the measured flow and cloud properties are used as inputs for a neural network. Results indicate that this approach successfully maps the scaling of wall fluxes and the collision kernel with biases of approximately 1% or less relative to the range of the target data. This proof‐of‐concept lays the groundwork for future applications; when the real measurements are available, real sensor data combined with the trained model presented in this work will enable estimation of the actual wall fluxes and collision kernel.

cloud chamber↗

DOE OSTI2014

SU-E-T-456: Development of An EPID-Based Output Measurement and Dosimetric Verification Tool for Electron Beam Therapy

Purpose: To develop an efficient and robust method for output and absolute dosimetric measurements of electron beam therapy by using a high spatialresolution and high frame-rate amorphous silicon flat-panel electronic portal imaging device (EPID). Methods: A previously-established EPID dosimetry system was extended to measure the output factors of electron beams of various sizes and their planar dose distributions at reference depths. Specific EPID responses to different electron energies were derived from Monte Carlo (MC) simulations to de-convolve the EPID raw images to the incident electron fluence map. To reconstruct the 2D water-based dose distribution map at reference depths for different energies, the fluence map was further convolved with a MC simulated pencil beam kernel. Different energies of 6, 9, 12, 16, and 20 MeV from a Varian C-series linac were tested. Standard square fields ranging from 2×2 to 15×15 cm{sup 2} were measured and validated against film/ion chamber measurements. Small fields of different patient cases with irregular cutout shapes were also tested. Results: The EPIDmeasured output factors for 2×2, 3×3, 6×6, and 10×10 cm{sup 2} fields with all electron energies agree with the film/ion chamber data within 2.7%. The average discrepancy between EPID and film/ion chamber measurements was 1.4%. The differences for the three patient cases were 0.1%, 2.1%, and 1.6%. Deliveries with different monitor units were tested and the results exhibited good linearity. Measurements with different dose rate showed that the dose rate dependence was less than 1%. Using the proposed method, 2D absolute dose maps were created from the EPID raw images and the results were consistent with film measurements. Conclusion: The efficient data readout and portability of the newly developed EPID system provides an efficient and accurate solution for electron beam therapy. It addresses an important unmet clinical need for a fast and reliable small field output factor measurement.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2024

Data‐driven variational method for discrepancy modeling: Dynamics with small‐strain nonlinear elasticity and viscoelasticity

Abstract The effective inclusion of a priori knowledge when embedding known data in physics‐based models of dynamical systems can ensure that the reconstructed model respects physical principles, while simultaneously improving the accuracy of the solution in the previously unseen regions of state space. This paper presents a physics‐constrained data‐driven discrepancy modeling method that variationally embeds known data in the modeling framework. The hierarchical structure of the method yields fine scale variational equations that facilitate the derivation of residuals which are comprised of the first‐principles theory and sensor‐based data from the dynamical system. The embedding of the sensor data via residual terms leads to discrepancy‐informed closure models that yield a method which is driven not only by boundary and initial conditions, but also by measurements that are taken at only a few observation points in the target system. Specifically, the data‐embedding term serves as residual‐based least‐squares loss function, thus retaining variational consistency. Another important relation arises from the interpretation of the stabilization tensor as a kernel function, thereby incorporating a priori knowledge of the problem and adding computational intelligence to the modeling framework. Numerical test cases show that when known data is taken into account, the data driven variational (DDV) method can correctly predict the system response in the presence of several types of discrepancies. Specifically, the damped solution and correct energy time histories are recovered by including known data in the undamped situation. Morlet wavelet analyses reveal that the surrogate problem with embedded data recovers the fundamental frequency band of the target system. The enhanced stability and accuracy of the DDV method is manifested via reconstructed displacement and velocity fields that yield time histories of strain and kinetic energies which match the target systems. The proposed DDV method also serves as a procedure for restoring eigenvalues and eigenvectors of a deficient dynamical system when known data is taken into account, as shown in the numerical test cases presented here.

Masud, Arif↗

DOE OSTI2018

Scale-dependent galaxy bias, CMB lensing-galaxy cross-correlation, and neutrino masses

One of the most powerful cosmological datasets when it comes to constraining neutrino masses is represented by galaxy power spectrum measurements, P gg ($k$). The constraining power of P gg ($k$) is however severely limited by uncertainties in the modeling of the scale-dependent galaxy bias b($k$). In this work we present a new proof-of-principle for a method to constrain b($k$) by using the cross-correlation between the Cosmic Microwave Background (CMB) lensing signal and galaxy maps (C$Kg\atop{l}$) using a simple but theoretically well-motivated parametrization for b($k$). We apply the method using C$Kg\atop{l}$ measured by cross-correlating Planck lensing maps and the Baryon Oscillation Spectroscopic Survey (BOSS) Data Release 11 (DR11) CMASS galaxy sample, and P gg ($k$) measured from the BOSS DR12 CMASS sample. We detect a non-zero scale-dependence at moderate significance, which suggests that a proper modeling of b($k$) is necessary in order to reduce the impact of non-linearities and minimize the corresponding systematics. The accomplished increase in constraining power of P gg ($k$) is demonstrated by determining a 95% confidence level upper bound on the sum of the three active neutrino masses M $v$ of M $v$ < 0:19 eV. This limit represents a significant improvement over previous bounds with comparable datasets. Our method will prove especially powerful and important as future large-scale structure surveys will overlap more significantly with the CMB lensing kernel providing a large cross-correlation signal.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1991

TADPLOT program, version 2.0: User's guide

The TADPLOT Program, Version 2.0 is described. The TADPLOT program is a software package coordinated by a single, easy-to-use interface, enabling the researcher to access several standard file formats, selectively collect specific subsets of data, and create full-featured publication and viewgraph quality plots. The user-interface was designed to be independent from any file format, yet provide capabilities to accommodate highly specialized data queries. Integrated with an applications software network, data can be assessed, collected, and viewed quickly and easily. Since the commands are data independent, subsequent modifications to the file format will be transparent, while additional file formats can be integrated with minimal impact on the user-interface. The graphical capabilities are independent of the method of data collection; thus, the data specification and subsequent plotting can be modified and upgraded as separate functional components. The graphics kernel selected adheres to the full functional specifications of the CORE standard. Both interface and postprocessing capabilities are fully integrated into TADPLOT.

Hammond, Dana P.↗

NASA NTRS2001

Deep-Focusing Time-Distance Helioseismology

Much progress has been made by measuring the travel times of solar acoustic waves from a central surface location to points at equal arc distance away. Depth information is obtained from the range of arc distances examined, with the larger distances revealing the deeper layers. This method we will call surface-focusing, as the common point, or focus, is at the surface. To obtain a clearer picture of the subsurface region, it would, no doubt, be better to focus on points below the surface. Our first attempt to do this used the ray theory to pick surface location pairs that would focus on a particular subsurface point. This is not the ideal procedure, as Born approximation kernels suggest that this focus should have zero sensitivity to sound speed inhomogeneities. However, the sensitivity is concentrated below the surface in a much better way than the old surface-focusing method, and so we expect the deep-focusing method to be more sensitive. A large sunspot group was studied by both methods. Inversions based on both methods will be compared.

Duvall, T. L., Jr.↗

DOE OSTI2015

WE-EF-303-04: An Advanced Image Processing Method to Improve the Spatial Resolution of Proton Radiographies

Purpose: We present an optimization method to improve the spatial resolution and the water equivalent thickness accuracy of proton radiographies. Methods: The method is designed for imaging systems measuring only the residual range of protons without relying on tracker detectors to determine the beam trajectory before and after the target. Specifically, the method was used for an imaging set-up consisting of a stack of 61 parallel-plate ionization chambers (PPIC) working as a range telescope. The method uses a decomposition approach of the residual range signal measured by the PPIC and constructs subimages with small size pixels geometrically rearranged and appropriately averaged to be merged into a final single radiography. The method was tested using Monte Carlo simulated and experimental proton radiographies of a PMMA step phantom and an anthropomorphic head phantom. Results: For the step phantom, the effective spatial resolution was found to be 4 and 3 times higher than the nominal resolution for the simulated and experimental radiographies, respectively. For the head phantom, a gamma index was calculated to quantify the conformity of the simulated proton radiographies with a digitally reconstructed X-ray radiography convolved with a Gaussian kernel equal to the proton beam spot-size. For DTA=2.5 mm and RD=2.5%, the passing ratio was 100%/85% for the optimized/non-optimized case, respectively. An extension of the method allows reducing the dose given to the patient during radiography acquisition. We show that despite a dose reduction of 25 times (leading to a dose of 0.016 mGy for the current imaging set-up), the image quality of the optimized radiographies remains fairly unaffected for both the simulated and experimental results. Conclusion: The optimization method leads to a significant increase of the spatial resolution allowing recovering image details that are unresolved in non-optimized radiographies. These results represent a major step towards clinical application of proton radiography.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2014

Carbothermic Synthesis of 820 m UN Kernels: Literature Review, Thermodynamics, Analysis, and Related Experiments

The U.S. Department of Energy is considering a new nuclear fuel that would be less susceptible to ruptures during a loss-of-coolant accident. The fuel would consist of tristructural isotropic coated particles with large, dense uranium nitride (UN) kernels. This effort explores many factors involved in using gel-derived uranium oxide-carbon microspheres to make large UN kernels. Analysis of recent studies with sufficient experimental details is provided. Extensive thermodynamic calculations are used to predict carbon monoxide and other pressures for several different reactions that may be involved in conversion of uranium oxides and carbides to UN. Experimentally, the method for making the gel-derived microspheres is described. These were used in a microbalance with an attached mass spectrometer to determine details of carbothermic conversion in argon, nitrogen, or vacuum. A quantitative model is derived from experiments for vacuum conversion to an uranium oxide-carbide kernel.

carothermic↗

DOE OSTI2013

Monte Carlo mesh tallies based on a Kernel Density Estimator approach using integrated particle tracks

A new Monte Carlo mesh tally based on a Kernel Density Estimator (KDE) approach using integrated particle tracks is presented. We first derive the KDE integral-track estimator and present a brief overview of its implementation as an alternative to the MCNP fmesh tally. To facilitate a valid quantitative comparison between these two tallies for verification purposes, there are two key issues that must be addressed. The first of these issues involves selecting a good data transfer method to convert the nodal-based KDE results into their cell-averaged equivalents (or vice versa with the cell-averaged MCNP results). The second involves choosing an appropriate resolution of the mesh, since if it is too coarse this can introduce significant errors into the reference MCNP solution. After discussing both of these issues in some detail, we present the results of a convergence analysis that shows the KDE integral-track and MCNP fmesh tallies are indeed capable of producing equivalent results for some simple 3D transport problems. In all cases considered, there was clear convergence from the KDE results to the reference MCNP results as the number of particle histories was increased. (authors)

97 MATHEMATICS AND COMPUTING↗