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NASA NTRS2018

Human-Automation Allocations for Current Robotic Space Operations

Within the Human Research Program, one risk delineates the uncertainty surrounding crew working with automation and robotics in spaceflight. The Risk of Inadequate Design of Human and Automation/Robotic Integration (HARI) is concerned with the detrimental effects on crew performance due to ineffective user interfaces, system designs and/or functional task allocation, potentially compromising mission success and safety. Risk arises because we have limited experience with complex automation and robotics. One key gap within HARI, is the gap related to functional allocation. The gap states: We need to evaluate, develop, and validate methods and guidelines for identifying human-automation/robot task information needs, function allocation, and team composition for future long duration, long distance space missions. Allocations determine the human-system performance as it identifies the functions and performance levels required by the automation/robotic system, and in turn, what work the crew is expected to perform and the necessary human performance requirements. Allocations must take into account each of the human, automation, and robotic systems capabilities and limitations. Some functions may be intuitively assigned to the human versus the robot, but to optimize efficiency and effectiveness, purposeful role assignments will be required. The role of automation and robotics will significantly change in future exploration missions, particularly as crew becomes more autonomous from ground controllers. Thus, we must understand the suitability of existing function allocation methods within NASA as well as the existing allocations established by the few robotic systems that are operational in spaceflight. In order to evaluate future methods of robotic allocations, we must first benchmark the allocations and allocation methods that have been used. We will present 1) documentation of human-automation-robotic allocations in existing, operational spaceflight systems; and 2) To gather existing lessons learned and best practices in these role assignments, from spaceflight operational experience of crew and ground teams that may be used to guide development for future systems. NASA and other space agencies have operational spaceflight experience with two key Human-Automation-Robotic (HAR) systems: heavy lift robotic arms and planetary robotic explorers. Additionally, NASA has invested in high-fidelity rover systems that can carry crew, building beyond Apollo's lunar rover. The heavy lift robotic arms reviewed are: Space Station Remote Manipulator System (SSRMS), Japanese Remote Manipulator System (JEMRMS), and the European Robotic Arm (ERA, designed but not deployed in space). The robotic rover systems reviewed are: Mars Exploration Rovers, Mars Science Laboratory rover, and the high-fidelity K10 rovers. Much of the design and operational feedback for these systems have been communicated to flight controllers and robotic design teams. As part of the mitigating the HARI risk for future human spaceflight operations, we must document function allocations between robots and humans that have worked well in practice.

robotic allocation↗

DOE OSTI2021

A Multi-modal Approach to Understanding Degradation of Organic Photovoltaic Materials

State-of-the-art organic photovoltaic (OPV) materials are composed of complex, chemically diverse polymeric and molecular structures that form highly intricate solid-state interactions, collectively yielding exceptional tunability in performance and aesthetics. These properties are especially attractive for semitransparent power-generating windows or shades in living environments, greenhouses, or other architectural integrations. However, before such a future is realized, a broader and deeper understanding of property stability must be acquired. Stability during operating and environmental conditions is critical, namely, material color steadfastness, optoelectronic performance retention, morphological rigidity, and chemical robustness. To date, no single investigation encompasses all four distinct, yet interconnected, metrics. Here, we present a multimodal strategy that captures a dynamic and interconnected evolution of each property during the course of an accelerated photobleaching experiment. We demonstrate this approach across relevant length scales (from molecular to visual macroscale) using X-ray photoelectron spectroscopy, grazing-incidence X-ray scattering, microwave conductivity, and time-dependent photobleaching spectroscopies for two high-performance semitransparent OPV blends—PDPP4T:PC 60 BM and PDPP4T:IEICO-4F, with comparisons to the stabilities of the individual components. We present direct evidence that specific molecular acceptor (fullerene vs nonfullerene) designs and the resulting donor–acceptor interactions lead to distinctly different mechanistic routes that ultimately arrive at what is termed “OPV degradation.” We directly observe a chemical oxidation of the cyano endcaps of the IEICO-4F that coincides with a morphological change and large loss in photoconductivity while the fullerene acceptor-containing blend demonstrates a significantly greater fraction of oxygen uptake but retains 55% of the photoconductivity. Finally, this experimental roadmap provides meaningful guidance for future high-throughput, multimodal studies, benchmarking the sensitivity of the different analytical techniques for assessing stability in printable active layers, independent of complete device architectures.

14 SOLAR ENERGY↗

DOE OSTI2018

Search for the direct production of charginos and neutralinos in final states with tau leptons in $\sqrt{s}$ =13 TeV pp collisions with the ATLAS detector

A search for the direct production of charginos and neutralinos in final states with at least two hadronically decaying tau leptons is presented. The analysis uses a dataset of pp collisions corresponding to an integrated luminosity of 36.1 fb -1 , recorded with the ATLAS detector at the Large Hadron Collider at a centre-of-mass energy of 13 TeV. No significant deviation from the expected Standard Model background is observed. Limits are derived in scenarios of $ \tilde{X} $$ \mathbb +\atop{1}$$ \tilde{X}$$ \mathbb -\atop{1}$ pair production and of $ \tilde{X} $$ \mathbb ±\atop{1}$$ \tilde{X}$$ \mathbb 0\atop{2}$ and $ \tilde{X} $$ \mathbb +\atop{1}$$ \tilde{X}$$ \mathbb -\atop{1}$ production in simplified models where the neutralinos and charginos decay solely via intermediate left-handed staus and tau sneutrinos, and the mass of the $ \tilde{τ} $ L state is set to be halfway between the masses of the $ \tilde{X} $$ \mathbb ±\atop{1}$ and the $ \tilde{X}$$ \mathbb 0\atop{1}$. Chargino masses up to 630 GeV are excluded at 95% confidence level in the scenario of direct production of $ \tilde{X} $$ \mathbb +\atop{1}$$ \tilde{X}$$ \mathbb -\atop{1}$ for a massless $ \tilde{X}$$ \mathbb 0\atop{1}$. Common $ \tilde{X} $$ \mathbb ±\atop{1}$ and $ \tilde{X}$$ \mathbb 0\atop{2}$ masses up to 760 GeV are excluded in the case of production of $ \tilde{X} $$ \mathbb ±\atop{1}$$ \tilde{X}$$ \mathbb 0\atop{2}$ and $ \tilde{X} $$ \mathbb +\atop{1}$$ \tilde{X}$$ \mathbb -\atop{1}$ assuming a massless $ \tilde{X}$$ \mathbb 0\atop{1}$. Exclusion limits for additional benchmark scenarios with large and small mass-splitting between the$ \tilde{X} $$ \mathbb ±\atop{1}$ and the $ \tilde{X}$$ \mathbb 0\atop{1}$ are also studied by varying the $ \tilde{τ} $ L mass between the masses of the$ \tilde{X} $$ \mathbb ±\atop{1}$ and the $ \tilde{X}$$ \mathbb 0\atop{1}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

Stand Alone Battery Thermal Management System

The objective of this project is research, development and demonstration of innovative thermal management concepts that reduce the cell or battery weight, complexity (component count) and/or cost by at least 20%. The project addresses two issues that are common problems with current state of the art lithium ion battery packs used in vehicles; low power at cold temperatures and reduced battery life when exposed to high temperatures. Typically, battery packs are “oversized” to satisfy the two issues mentioned above. The first phase of the project was spent making a battery pack simulation model using AMEsim software. The battery pack used as a benchmark was from the Fiat 500EV. FCA and NREL provided vehicle data and cell data that allowed an accurate model to be created that matched the electrical and thermal characteristics of the actual battery pack. The second phase involved using the battery model from the first phase and evaluate different thermal management concepts. In the end, a gas injection heat pump system was chosen as the dedicated thermal system to both heat and cool the battery pack. Based on the simulation model. The heat pump system could use 50% less energy to heat the battery pack in -20°C ambient conditions, and by keeping the battery cooler at hot climates, the battery pack size could be reduced by 5% and still meet the warranty requirements. During the final phase, the actual battery pack and heat pump system were installed in a test bench at DENSO to validate the simulation results. Also during this phase, the system was moved to NREL where testing was also done to validate the results. In conclusion, the heat pump system can improve “fuel economy” (for electric vehicle) by 12% average in cold climates. Also, the battery pack size, or capacity, could be reduced 5%, or if pack size is kept constant, the pack life could be increased by two years. Finally, the total battery pack and thermal system cost could be reduced 5% only if the system is integrated with the vehicle cabin air conditioning system. The reason why we were not able to achieve the 20% reduction target is because of the natural decay of the battery cell due to the number of cycles. Perhaps newer battery chemistries that are not so sensitive to cycling would have more potential for reducing the battery size due to thermal issues.

25 ENERGY STORAGE↗

DOE OSTI2024

Nuclear Data Sensitivity/Uncertainty Studies of Tantalum-Reflected Systems

Tantalum (Ta) is a refractory metal with high melting point and high corrosion resistance. This makes it useful as a mold material for plutonium casting operations. Unfortunately, there are few criticality benchmarks with high nuclear data sensitivities. Given that, it is desirable to design new experiments to provide additional validation data for nuclear criticality safety, which is the objective of the Thales project. Multiple application models were used to represent process conditions (either normal conditions or credible upset conditions) both at Los Alamos National Laboratory (LANL) and Savannah River Site (SRS). A total of 40 application models were obtained. Given this, it was useful to down-select the number of needed application models. This work documents the down-selection based on several nuclear data sensitivity/uncertainty metrics. In addition to showing the result of the specific down-selection used for the Thales project, this work discusses potential ways to represent a large number of application models with a smaller number of proposed experiment designs.

42 ENGINEERING↗

DOE OSTI2026

Integration of Online Cross-Section Generation Capability with Depletion and Transient Solvers in Griffin

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE)-based reactor multiphysics analysis application jointly developed by Argonne and Idaho National Laboratories under the DOENE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In FY25, an online crosssection generation capability based on the Self-Shielding Application Programming Interface (SSAPI) was demonstrated for TRISO-fueled reactor problems under steady-state conditions. This fiscal year, that capability was extended to support depletion and transient multiphysics calculations, enabling high-fidelity analyses that generate self-shielded cross sections on the fly from the actual evolving composition and temperature states rather than from pre-tabulated libraries. For depletion, a two-way coupling was established in which SSAPI computes compact-averaged self-shielded cross sections that the depletion solver then uses to advance the Bateman equations, with the updated compositions returned to SSAPI at each step; the depletion module was refactored to support both library-based and SSAPI-based cross sections, and additional logic was added to track daughter isotopes and to exclude minor isotopes for efficiency. For transient analysis, the SSAPI multigroup library was extended with the kinetics data required for time-dependent calculations, the Improved Quasi-Static (IQS) scheme was coupled with SSAPI, and several supporting capabilities were implemented, including a self-shielding treatment that lets control rods and drums move within a self-shielded model, which had previously been impossible and had ruled out rod- and drum-movement transients with on-the-fly cross sections altogether, a new mixing scheme for delayed-neutron precursor decay constants, a checkpoint-based restart workflow, and performance improvements such as pointwise cross-section interpolation and the bypassing of unnecessary Dancoff factor calculations. The implemented capabilities were verified against Serpent Monte Carlo solutions. For depletion, a prismatic pin-cell problem based on a Next Generation Nuclear Plant (NGNP) Very High Temperature Reactor benchmark showed excellent agreement, with eigenvalue differences within 200 pcm over the entire burnup range (up to 140 MWD/kgU) and fission-product and actinide inventories agreeing to within 0.8% and 2.5%, respectively; a heat-pipe microreactor assembly problem with a much higher fuel loading confirmed the same behavior and quantified the bias introduced when the multigroup equivalence effect is neglected. For transient analysis, a pin-cell problem with a step reactivity insertion and temperature feedback reproduced the analytically expected asymptotic power and showed close agreement between the direct and IQS solutions, and a two-dimensional microreactor core problem with control-drum rotation exercised the new moving-drum self-shielding treatment and demonstrated successful coupling of the online crosssection generation with both the direct and IQS transient methods. The capability was further exercised on a full-core pebble-bed problem, in which Griffin was coupled with the System Analysis Module (SAM) to simulate load-following operation of the gPBR with the Doppler feedback resolved at the TRISO fuel kernel temperature. These developments in Griffin provide a convenient, high-fidelity approach to cross-section generation for advanced thermal reactors with geometrically complex and highly heterogeneous configurations, including TRISO-fueled prismatic and pebble-bed systems, and support steady-state, depletion, and transient multiphysics calculations. They also enable self-shielded cross sections to be evaluated directly at the actual coupled state of the system, thereby establishing a foundation for high-fidelity, fully coupled multiphysics analysis of advanced reactors

Park, H.↗

NASA NTRS2018

Chemical Modeling of the Reactivity of Short-Lived Greenhouse Gases: A Model Inter-Comparison Prescribing a Well-Measured, Remote Troposphere

We develop a new protocol for merging in situ measurements with 3-D model simulations of atmospheric chemistry with the goal of integrating over the data to identify the most reactive air parcels in terms of tropospheric production and loss of the greenhouse gases ozone and methane. Presupposing that we can accurately measure atmospheric composition, we examine whether models constrained by such measurements agree on the chemical budgets for ozone and methane. In applying our technique to a synthetic data stream of 14,880 parcels along 180W, we are able to isolate the performance of the photochemical modules operating within their global chemistry-climate and chemistry-transport models, removing the effects of modules controlling tracer transport, emissions, and scavenging. Differences in reactivity across models are driven only by the chemical mechanism and the diurnal cycle of photolysis rates, which are driven in turn by temperature, water vapor, solar zenith angle, clouds, and possibly aerosols and overhead ozone, which are calculated in each model. We evaluate six global models and identify their differences and similarities in simulating the chemistry through a range of innovative diagnostics. All models agree that the more highly reactive parcels dominate the chemistry (e.g., the hottest 10% of parcels control 25-30% of the total reactivities), but do not fully agree on which parcels comprise the top 10%. Distinct differences in specific features occur, including the regions of maximum ozone production and methane loss, as well as in the relationship between photolysis and these reactivities. Unique, possibly aberrant, features are identified for each model, providing a benchmark for photochemical module development. Among the 6 models tested here, 3 are almost indistinguishable based on the inherent variability caused by clouds, and thus we identify 4, effectively distinct, chemical models. Based on this work, we suggest that water vapor differences in model simulations of past and future atmospheres may be a cause of the different evolution of tropospheric O3 and CH4, and lead to different chemistry-climate feedbacks across the models.

greenhouse gases↗

DOE OSTI2017

Jet energy scale and resolution in the CMS experiment in pp collisions at 8 TeV

Improved jet energy scale corrections, based on a data sample corresponding to an integrated luminosity of 19.7 fb(-1) collected by the CMS experiment in proton-proton collisions at a center-of-mass energy of 8 TeV, are presented. The corrections as a function of pseudorapidity η and transverse momentum p(T) are extracted from data and simulated events combining several channels and methods. They account successively for the effects of pileup, uniformity of the detector response, and residual data-simulation jet energy scale differences. Further corrections, depending on the jet flavor and distance parameter (jet size) R, are also presented. The jet energy resolution is measured in data and simulated events and is studied as a function of pileup, jet size, and jet flavor. Typical jet energy resolutions at the central rapidities are 15–20% at 30 GeV, about 10% at 100 GeV, and 5% at 1 TeV. The studies exploit events with dijet topology, as well as photon+jet, Z+jet and multijet events. Several new techniques are used to account for the various sources of jet energy scale corrections, and a full set of uncertainties, and their correlations, are provided.The final uncertainties on the jet energy scale are below 3% across the phase space considered by most analyses (p(T),>30 GeV and 0| η| <5.). In the barrel region (| η| <1.3) an uncertainty below 1% for p(T)>30 GeV is reached, when excluding the jet flavor uncertainties, which are provided separately for different jet flavors. A new benchmark for jet energy scale determination at hadron colliders is achieved with 0.32% uncertainty for jets with \pt of the order of 165–330\GeV, and | η| <0.8.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2010

Embracing Safe Ground Test Facility Operations and Maintenance

Conducting integrated operations and maintenance in wind tunnel ground test facilities requires a balance of meeting due dates, efficient operation, responsiveness to the test customer, data quality, effective maintenance (relating to readiness and reliability), and personnel and facility safety. Safety is non-negotiable, so the balance must be an "and" with other requirements and needs. Pressure to deliver services faster at increasing levels of quality in under-maintained facilities is typical. A challenge for management is to balance the "need for speed" with safety and quality. It s especially important to communicate this balance across the organization - workers, with a desire to perform, can be tempted to cut corners on defined processes to increase speed. Having a lean staff can extend the time required for pre-test preparations, so providing a safe work environment for facility personnel and providing good stewardship for expensive National capabilities can be put at risk by one well-intending person using at-risk behavior. This paper documents a specific, though typical, operational environment and cites management and worker safety initiatives and tools used to provide a safe work environment. Results are presented and clearly show that the work environment is a relatively safe one, though still not good enough to keep from preventing injury. So, the journey to a zero injury work environment - both in measured reality and in the minds of each employee - continues. The intent of this paper is to provide a benchmark for others with operational environments and stimulate additional sharing and discussion on having and keeping a safe work environment.

Dunn, Steven C.↗

NASA NTRSDate not supplied

Training and Validation of Spectral Gap Filling Algorithm for Cpf-Ceres Intercalibration

The Climate Absolute Radiance and Refractivity Observatory (CLARREO) Pathfinder (CPF) mission is set to launch an SI-traceable reflective solar (RS) spectrometer aboard the International Space Station to measure Earth-reflected solar radiation with a radiometric uncertainty of 0.3% (k=1). The CPF intercalibration team has devised a cutting-edge methodology to accurately transfer the benchmark CPF calibration reference to the shortwave (SW) channel (200-5000 nm) of the Clouds and the Earth’s Radiant Energy System (CERES) instrument. The spectral range of CPF measurements spans from 350-2300 nm, while the CERES SW channel measures the Earth-reflected broadband solar radiances between 200 nm to 5 μm. To conduct precise CPF-CERES intercalibration analysis, the CPF-like spectral radiances outside the CPF spectral range need to be estimated to match the CERES SW spectral range. In response, the team has developed a fast algorithm that leverages spectrally redundant information within the CPF-measured portion through principal component analysis (PCA) and utilizes pre-established spectral correlation relationships among wavelengths to extend the CPF spectrum below 350 nm and above 2300 nm. Our results show that the algorithm achieves excellent accuracy in generating the missing energy in the UV and IR portions. The RMS error in the UV region is less than 4.5x10-3 W/m2/sr/nm, while in the IR region, it is smaller than 8x10-5 W/m2/sr/nm. Our methodology was validated using measured EMIT radiance data, which covers the spectral range from 0.381 μm to 2.493 μm. We employed EMIT radiances within the wavelength range of 0.43 – 2.25 μm to generate radiances for both the shorter wavelength range (0.381 – 0.43 μm) and longer wavelength range (2.25 – 2.493 μm). The generated radiances agree very well with the measured EMIT radiances. The standard deviation in the integrated broadband radiances was about 0.1%, and the bias is less than 0.004% for over 1.5 million EMIT measured samples. These statistics show that the spectral gap filling algorithm is robust and effective in substantially reducing the spectral difference-induced uncertainty in the CPF-CERES intercalibration samples.

Qiguang Yang↗

DOE OSTI2015

Search for a charged Higgs boson in pp collisions at √s = 8 TeV

Our search for a charged Higgs boson is performed with a data sample corresponding to an integrated luminosity of 19.7 ± 0.5 fb -1 collected with the CMS detector in proton-proton collisions at √s=8,TeV. The charged Higgs boson is searched for in top quark decays for m H± < m t - m b, and in the direct production pp → t(b)H ± for m H± > m t - m b. The H ± → τ ± ν τ and H ± → tb decay modes in the final states τ h +jets, μτ h , ℓ+jets, and ℓℓ’ (ℓ =e, μ) are considered in the search. No signal is observed and 95% confidence level upper limits are set on the charged Higgs boson production. Furthermore, a model-independent upper limit on the product branching fraction B(t→H±b)B(H±→τ±ντ)=1.2-0.15% is obtained in the mass range m H± = 80–160 GeV, while the upper limit on the cross section times branching fraction σ(pp→t(b)H±)B(H ± → τ ± ν τ )=0.38-0.025 pb is set in the mass range m H+ = 180–600 GeV. Here, σ(pp → t(b)H±) stands for the cross section sum σ(pp→t¯(b)H+)+σ(pp→t(b¯)H-). Assuming B(H ± →tb)=1, an upper limit on σ(pp → t(b)H±) of 2.0–0.13 pb is set for m H± = 180–600 GeV. The combination of all considered decay modes and final states is used to set exclusion limits in the m H ± -tan β parameter space in different MSSM benchmark scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Sensitivity-based Similarity Metrics for New Experiment Design Optimization

The nuclear data used in advanced reactor simulations requires validation. Data from nuclear criticality experiments can provide this validation. New nuclear criticality experiment design requires extensive knowledge and expert judgement such that the experimental design parameters are selected in such a way to keep the experiment subcritical. To aide in this experimental design process, professionals can utilize sensitivity and uncertainty analysis. Sensitivity and uncertainty analysis relies on matching new application experiments with currently existing benchmark experiments. Currently, there is functionality in the Whisper 1.1 software package to calculate a similarity metric based on neutron multiplication factor sensitivity coefficients between a new application designed by the user and existing International Criticality Safety Benchmark Experiment Project (ICSBEP) benchmarks. The Whisper 1.1 software package is included in Monte Carlo N-Particle ® Code Version 6.21 (MCNP ® 6.2). This work is geared toward expanding this capability to new similarity metrics based on beta-effective sensitivity coefficients and reactivity coefficient sensitivity coefficients. While the investigation of these sensitivity coefficients is presented in detail in separate works at this same conference, this work will be primarily focused on studying the similarity metrics in more detail. These similarity metrics will then be incorporated into the optimization algorithms used for experiment design in EUCLID (Experiments Underpinned by Computational Learning for Improvements in nuclear Data), which is a Los Alamos National Laboratory (LANL) project designed to constrain nuclear data of interest, such that adjustments can be made to possible inaccuracies. A more detailed optimization can be subsequently performed by breaking down these similarity metrics by isotope, reaction, and energy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

Multi-node and Multi-core Performance Studies of a Monte Carlo code RMC

Over the past 15 years the architecture of high-performance computing systems has become increasingly heterogeneous with individual computing cores being subdivided into nodes and even auxiliary co-processing units such as graphics processing units or the Intel many integrated core co-processors. In fact, future computer platforms is moving toward a larger number of nodes and cores with lower memory available per node. Today, several production Monte Carlo codes use some types of hybrid parallelism strategy that makes use of shared-memory parallelism within a computing node and message-passing parallelism between nodes, which enables the codes to utilize available computing resources as much as possible, both among and within computing nodes on a cluster. The so-called hybrid parallelization is also possible with Reactor Monte Carlo Code RMC by activating both MPI and OpenMP parallel algorithms together. On HPC' which typically consists of several or several-ten thousand nodes equipping 16-32 computing intra-cores per node, simulation of RMC can be carried out in the hybrid parallelization with the MPI inter-node parallelization and the OpenMP intra-node parallelization. RMC has adopted a hybrid message-passing and shared-memory approach to parallelism, which enables the code to utilize available computing resources, both among and within computing nodes on a cluster. Shared-memory parallelism is especially valuable for large-model simulations because it enables multiple compute cores within a node to share common model information such as the geometry description, material, cross section and tally data, thus reducing the memory usage per processor. The calculation on the Tianhe-2 supercomputer took 6144 cores, resulting in a rate of 173,314,000 neutrons/minute for BEAVRS benchmark. While pin-wise full core H-M benchmark burnup calculations with millions of depletion regions was selected using MPI/OpenMP parallelism, the speed of 6,144 cores reach 1,843,200 burnable regions per minute. Keeping up with the continuing trend for increases in the number of computing resources within modern HPC systems is a significant challenge for teams that develop and maintain high-performance MC radiation transport solvers. order to address this challenge, RMC has adopted a hybrid message-passing and shared-memory approach to parallelism, which enables the code to utilize available computing resources, both among and within computing nodes on a cluster. Shared-memory parallelism is especially valuable for large-model simulations because it enables multiple compute cores within a node to share common model information such as the geometry description, material and composition definitions, and cross section data, thus reducing the memory usage per processor. The parallel performance has been studied by using two complex and representative benchmarks, H-M and BEAVRS benchmark. All simulations were run on Intel Xeon E5-2692 12 core, 2.2 GHz processors at MilkyWay-2 Super Computer with up to 12,288 available computing cores. While employing MPI parallelism, excellent parallel efficiency is achieved even above 12,000 processors and RMC reaches the parallel efficiency of 96% on 12,288 cores for the pin-by-pin computation of the BEAVRS benchmark. While BEAVRS criticality benchmark was selected using MPI/OpenMP parallelism, the speed of 6,144 cores reach 173,314,000 particles per minute. While pin-wise full core H-M benchmark burnup calculations with millions of depletion regions was selected using MPI/OpenMP parallelism, the speed of 6,144 cores reach 1,843,200 burnable regions per minute. Results from these studies demonstrate that RMC, using the hybrid parallel model described in this paper, is able to handle pin-wise full core burnup calculations with millions of depletion regions and scales well through thousands of processors. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Integrating a ponderomotive guiding center algorithm into a quasi-static particle-in-cell code based on azimuthal mode decomposition

High fidelity modeling of plasma based acceleration (PBA) requires the use of three dimensional, fully nonlinear, and kinetic descriptions based on the particle-in-cell (PIC) method. In PBA an intense particle beam or laser (driver) propagates through a tenuous plasma whereby it excites a plasma wave wake. Three-dimensional PIC algorithms based on the quasi-static approximation (QSA) have been successfully applied to efficiently model the interaction between relativistic charged particle beams and plasma. In a QSA PIC algorithm, the plasma response to a charged particle beam or laser driver is calculated based on forces from the driver and self-consistent forces from the QSA form of Maxwell's equations. These fields are then used to advance the charged particle beam or laser forward by a large time step. Since the time step is not limited by the regular Courant-Friedrichs-Lewy (CFL) condition that constrains a standard 3D fully electromagnetic PIC code, a 3D QSA PIC code can achieve orders of magnitude speedup in performance. Recently, a new hybrid QSA PIC algorithm that combines another speedup technique known as an azimuthal Fourier decomposition has been proposed and implemented. This hybrid algorithm decomposes the electromagnetic fields, charge and current density into azimuthal harmonics and only the Fourier coefficients need to be updated, which can reduce the algorithmic complexity of a 3D code to that of a 2D code. Modeling the laser-plasma interaction in a full 3D electromagnetic PIC algorithm is very computationally expensive due the enormous disparity of physical scales to be resolved. In the QSA the laser is modeled using the ponderomotive guiding center (PGC) approach. We describe how to implement a PGC algorithm compatible for the QSA PIC algorithms based on the azimuthal mode expansion. Here this algorithm permits time steps orders of magnitude larger than the cell size and it can be asynchronously parallelized. Details on how this is implemented into the QSA PIC code that utilizes an azimuthal mode expansion, QPAD, are also described. Benchmarks and comparisons between a fully 3D explicit PIC code (OSIRIS), as well as a few examples related to laser wakefield acceleration, are presented.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Reactor Pressure Vessel Fracture Mechanics Development and Concrete Application Testing for Grizzly

The Grizzly code is being developed to address degradation issues in nuclear reactor structures and components. For light-water reactors, Grizzly currently has capabilities to simulate degradation processes and their effects on structural integrity in two key areas: reactor pressure vessels (RPVs) and reinforced concrete structures. This report documents improvements made to Grizzly’s ability to address both of these structural systems. For RPVs, the reduced-order models (ROMs) used in fracture mechanics calculations have been expanded to allow their application over a broader range of the parameter space than was permitted by the previous models. The ROMs currently used in Grizzly for the evaluation of flaws that are fully embedded within the RPV (as opposed to surface-breaking flaws) are based on a model that is known to be conservative, indicating higher stress intensity factors than would be obtained from direct simulations. A more accurate model that eliminates these excess conservatisms has been recently included in the American Society of Mechanical Engineers Boiler and Pressure Vessel Code but was not applicable for flaws near the RPV surface, which is where the most critical flaws are usually located. That model has recently been extended for increased applicability in this near-surface region. The ROMs for embedded flaws in the Grizzly code have been expanded to include these recent extensions, which permit their use in a much broader set of cases than previously possible. Direct 3D simulations have been used to check these ROMs and have shown good agreement in most cases, although there are still some cases that need further investigation. There are considerable benefits to using these these more accurate and less conservative ROMs for embedded flaws. On a benchmark probabilistic fracture mechanics problem tested here, the conditional probability of fracture initiation computed for a population of flaws in a single plate in an RPV decreased by over a factor of 3. To address aging in reinforced concrete structures, a capability to simulate multiple degradation mechanisms, including alkali-silica reaction and radiation-induced volumetric expansion has been developed in Grizzly over the past several years. This had previously been demonstrated on laboratory-scale specimens but not on full-scale nuclear concrete structures with reinforcement. To demonstrate the applicability of Grizzly to the analysis of large-scale structures of interest, a full 3D model of a representative reinforced concrete structure, including a complex arrangement of reinforcing bars, was developed and demonstrated in Grizzly.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Verification of Special Nuclear Material (SNM) using Active Well Coincidence Counter (AWCC) and a High Purity Germanium (HPGe) Detector

SNM verification can be accomplished via two methods i.e. destructive analysis (DA) or nondestructive analysis (NDA). The DA modes are much more accurate compared to NDA modes; nevertheless, the sample's physical integrity is destroyed in the process. Techniques such as ICP-MS, ID-ICP-MS, TI-MS are few examples of DA, where a bulk material is ground and mixed with a solution (some form of acid) to acquire a homogenous sample. In contrast, NDA modes utilize signals emitted by the sample such as gamma, neutrons, light, or heat to analyze samples under investigation. HPGe detectors are some of the most frequently used gamma detectors to assay SNM. However, in a high activity scenario it provides a large uncertainty and sometimes becomes unfeasible to measure low energy gamma rays. Meanwhile, neutron detectors are not affected by the gamma background, therefore they can be used in addition to the gamma detectors to verify total fissile mass ({sup 235}U + {sup 239}Pu) of SNM. The AWCC is one of the thermal neutron NDA systems developed at the Los Alamos National Laboratory (LANL). It consists of 42 {sup 3}He detectors to measure gross neutrons (singles), coincidence neutrons (doubles), higher order multiplicity counting (triples, quadruples, etc.). It can effectively operate in both active and passive neutron interrogation modes. It can utilize AmLi, AmBe, or {sup 252}Cf active interrogation neutron sources. It is used to verify declared fissile mass ({sup 235}U or {sup 239}Pu) present in SNM. Objectives: Calibrate HPGe and AWCC for lightly irradiated (with enough {sup 137}Cs gamma background) ∼93% enriched HEU fuels; Verify fissile mass ({sup 235}U +{sup 239}Pu) content using AWCC and HPGe; Model and benchmark AWCC in MCNP6. Neutron coincidence and multiplicity counting: Two or more neutrons are coincident if they are detected by the system within the specified gate window; In AWCC: Gate window is 128 μsec; Induced fission in fissile material such as {sup 235}U and {sup 239}Pu - emission of time correlated neutrons - Singles, Doubles, Triples, or Quadruples; No induced fission in non-fissile materials- no correlated neutrons - only singles. SNM can be verified with high accuracy and precision using gamma and neutron NDA instruments such as HPGe and AWCC. Interaction with thermal neutrons. Non-fissile atoms - do not emit correlated neutrons. Fissile atoms - emit correlated neutrons during induced fission events. The time correlated neutrons can be detected by using coincidence or multiplicity counters such as AWCC. Likewise, {sup 235}U produces 186 keV gamma peak that can be measured by a HPGe gamma detector. Counts under 186 keV gamma peak provide information about {sup 235}U content. Combining AWCC and HPGe results can provide better understanding of special nuclear material under investigation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

Assessing the feasibility of volumetric-modulated arc therapy using simultaneous integrated boost (SIB-VMAT): An analysis for complex head-neck, high-risk prostate and rectal cancer cases

Intensity-modulated radiotherapy (IMRT) allowed the simultaneous delivery of different doses to different target volumes within a single fraction, an approach called simultaneous integrated boost (SIB). As consequence, the fraction dose to the boost volume can be increased while keeping low doses to the elective volumes, and the number of fractions and overall treatment time will be reduced, translating into better radiobiological effectiveness. In recent years, volumetric-modulated arc therapy (VMAT) has been shown to provide similar plan quality with respect to fixed-field IMRT but with large reduction in treatment time and monitor units (MUs) number. However, the feasibility of VMAT when used with SIB strategy has few investigations to date. We explored the potential of VMAT in a SIB strategy for complex cancer sites. A total of 15 patients were selected, including 5 head-and-neck, 5 high-risk prostate, and 5 rectal cancer cases. Both a double-arc VMAT and a 7-field IMRT plan were generated for each case using Oncentra MasterPlan treatment planning system for an Elekta Precise linac. Dosimetric indexes for targets and organs at risk (OARs) were compared based on dose-volume histograms. Conformity index, homogeneity index, and dose-contrast index were used for target analyses. The equivalent uniform doses and the normal tissue complication probabilities were calculated for main OARs. MUs number and treatment time were analyzed to score treatment efficiency. Pretreatment dosimetry was performed using 2-dimensional (2D)-array dosimeter. SIB-VMAT plans showed a high level of fluence modulation needed for SIB treatments, high conformal dose distribution, similar target coverage, and a tendency to improve OARs sparing compared with the benchmark SIB-IMRT plans. The median treatment times reduced from 13 to 20 minutes to approximately 5 minutes for all cases with SIB-VMAT, with a MUs reduction up to 22.5%. The 2D-array ion-chambers' measurements reported an agreement of more than 95% for a criterion of 3% to 3 mm. SIB-VMAT was able to combine the advantages of conventional SIB-IMRT with its highly conformal dose distribution and OARs sparing and the advantages of 3D-conformal radiotherapy with its fast delivery.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2023

FY23 Progress on Computational Modeling of the Water-Based NSTF

This report summarizes the system-level modeling effort by Argonne National Laboratory (Argonne) of the Natural convection Shutdown heat removal Test Facility (NSTF) in FY23. As a continuation of the modeling effort from FY22, this year’s work focuses on improving the RELAP5-3D model developed previously for two-phase flow simulations. The RELAP5-3D model is updated to more accurately capture the heat loss experienced by the facility. The updated model is compared against experimental data for benchmarking purposes of the RELAP5-3D input model. By correctly accounting for heat loss, the updated RELAP5-3D model can now predict the two-phase baseline case more accurately. The onset and the duration of instability are captured well by the model. Furthermore, analyses are performed to better understand the instability mechanism experienced by the flow where the expansion of the boiling boundary in the chimney is studied in details and the fundamental frequencies of the oscillations are obtained. The updated RELAP5-3D model is further compared against four fault conditions, namely the reduction of riser header inlet flow area, depletion of system inventory, blocked riser channels, and static boiling scenario. For each fault condition, minor modifications and tuning are performed to improve the predictions of the model. The purpose of the analyses is to investigate the capability of RELAP5-3D in predicting complex two-phase flows in possible accident scenarios in actual Reactor Cavity Cooling System (RCCS). Overall, the model is able to capture the behaviors and trends of these fault conditions relatively well. Some discrepancies remain between the experimental data and the predictions, many of which are likely due to the differences in the predicted and experimental vapor generation rate. Future work will focus on the continued development of the current RELAP5-3D input model of the NSTF to both improve the accuracy of the model’s predictive capability and continue supporting the experimental program needs. The mutually beneficial relationship between analysis and experimental efforts has become integral to the parent NSTF program, and the greater objective to fully understand and accurately predict the heat removal performance of a full scale RCCS concept.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗