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DOE OSTI2017

Model for radiation damage-induced grain subdivision and its influence in U 3 Si 2 fuel swelling

Here, the swelling mechanisms of U 3 Si 2 from neutron irradiation under reactor conditions are not unequivocally known. The limited experimental evidence that is available suggests that the main driver of the swelling in this material would be fission gases accumulation at crystalline grain boundaries. The steps that lead to the accumulation of fission gases at these locations are multiple and complex. However, gradually, the gaseous fission products migrate by diffusion. Upon reaching a grain boundary, which acts as a trap, the gaseous fission products start to accumulate, thus leading to formation of bubbles and hence to induced swelling. Therefore, a quantitative model of swelling requires the incorporation of phenomena that increase the presence of grain boundaries and decrease grain sizes, thus creating sites for bubble formation and growth while concurrently deceasing the distance from gas species formation to gas accumulation sites. It is assumed that grain boundary formation results from the conversion of stored energy from accumulated dislocations into energy for the formation of new grain boundaries. This work attempts to develop a quantitative model for grain subdivision in U 3 Si 2 based on the above mentioned phenomena to quantitatively corroborate the presence of such a mechanism. Then the model is used in conjunction with swelling codes to evaluate the total swelling of a fuel pellet during its lifetime in the I 2 S-LWR reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

169 Tm ( n , γ ) cross section and statistical decay properties from measurements at the DANCE facility

Background: Radiative neutron capture on thulium, which is a monoisotopic element, plays a role in different applications such as nuclear astrophysics or nuclear burning environments. Considerable discrepancies—reaching 20%—exist between evaluations in the unresolved-resonance region. Furthermore, experimental data on statistical 𝛾 decay in odd-odd rare-earth nuclei is scarce. There are still open questions about the systematics of the so-called scissors mode in the 𝑀⁢1 photon strength function, especially in odd-odd nuclei. Purpose: This work is focused on two main topics—deriving experimental 169 Tm ⁢(𝑛,𝛾) cross section and studying statistical 𝛾 decay of 170 Tm, in particular properties of the scissors mode. Methods: The capture experiments to obtain experimental cross section were performed at the Los Alamos Neutron Science Center using the time-of-flight technique and employing the Detector for Advanced Neutron Capture Experiments. Measured coincident 𝛾-ray spectra were also compared with statistical simulations using the dicebox code to test different models of level density and photon strength functions. Results: The capture cross section was determined from 1.8 eV to 0.97 MeV, the broadest neutron-energy range ever measured for this isotope. Several new resonances have been observed. The statistical 𝛾 decay of 170 Tm cannot be reproduced without a scissors mode resonance centered at ≈ 3.3MeV. Conclusions: The measured cross section in the unresolved-resonance region is generally lower than the latest evaluations. The derived 169 Tm 𝑠-process abundance is expected to increase by a factor of 1.26, while the changes of the abundances of elements heavier than 169 Tm are in the order of 0.2%. The scissors mode properties in 170 Tm are similar to those deduced in previous analyses of neighboring nuclei 168 Er and 166 Ho .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Material Interactions in Severe Accidents – Benchmarking the MELCOR V2.2 Eutectics Model for a BWR-3 MARK-I Station Blackout: Part I – Single Case Analysis

Here in this analysis, the two material interaction models available in the MELCOR code are benchmarked for a severe accident at a BWR under representative Fukushima Daiichi boundary conditions. This part of the benchmark investigates the impact of each material interaction model on accident progression through a detailed single case analysis. It is found that the eutectics model simulation exhibits more rapid accident progression for the duration of the accident. The slower accident progression exhibited by the interactive materials model simulation, however, allows for a greater degree of core material oxidation and hydrogen generation to occur, as well as elevated core temperatures during the ex-vessel accident phase. The eutectics model simulation exhibits more significant degradation of core components during the late in-vessel accident phase – more debris forms and relocates to the lower plenum before lower head failure. The larger debris bed observed in the eutectics model simulation also reaches higher temperatures, presenting a more significant thermal challenge to the lower head until its failure. At the end of the simulated accident scenario, however, core damage is comparable between both simulations due to significant core degradation that occurs during the ex-vessel phase in the interactive materials model simulation. A key difference between the two models’ performance is the maximum temperatures that can be reached in the core and therefore the maximum ΔT between any two components. When implementing the interactive materials model, users have the option to modify the liquefaction temperature of the ZrO 2 -interactive and UO 2 -interactive materials as a way to mimic early fuel rod failure due to material interactions. Through modification of the liquefaction of high melting point materials with significant mass, users may inadvertently limit maximum core temperatures for fuel, cladding, and debris components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2013

Measurement of the edge plasma rotation on J-TEXT tokamak

A multi-channel high resolution spectrometer was developed for the measurement of the edge plasma rotation on J-TEXT tokamak. With the design of two opposite viewing directions, the poloidal and toroidal rotations can be measured simultaneously, and velocity accuracy is up to 1 km/s. The photon flux was enhanced by utilizing combined optical fiber. With this design, the time resolution reaches 3 ms. An assistant software “Spectra Assist” was developed for implementing the spectrometer control and data analysis automatically. A multi-channel monochromatic analyzer is designed to get the location of chosen ions simultaneously through the inversion analysis. Some preliminary experimental results about influence of plasma density, different magnetohydrodynamics behaviors, and applying of biased electrode are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2016

SU-F-T-310: Does a Head-Mounted Ionization Chamber Detect IMRT Errors?

Purpose: The conventional plan verification strategy is delivering a plan to a QA-phantom before the first treatment. Monitoring each fraction of the patient treatment in real-time would improve patient safety. We evaluated how well a new detector, the IQM (iRT Systems, Germany), is capable of detecting errors we induced into IMRT plans of three different treatment regions. Results were compared to an established phantom. Methods: Clinical plans of a brain, prostate and head-and-neck patient were modified in the Pinnacle planning system, such that they resulted in either several percent lower prescribed doses to the target volume or several percent higher doses to relevant organs at risk. Unaltered plans were measured on three days, modified plans once, each with the IQM at an Elekta Synergy with an Agility MLC. All plans were also measured with the ArcCHECK with the cavity plug and a PTW semiflex 31010 ionization chamber inserted. Measurements were evaluated with SNC patient software. Results: Repeated IQM measurements of the original plans were reproducible, such that a 1% deviation from the mean as warning and 3% as action level as suggested by the manufacturer seemed reasonable. The IQM detected most of the simulated errors including wrong energy, a faulty leaf, wrong trial exported and a 2 mm shift of one leaf bank. Detection limits were reached for two plans - a 2 mm field position error and a leaf bank offset combined with an MU change. ArcCHECK evaluation according to our current standards also left undetected errors. Ionization chamber evaluation alone would leave most errors undetected. Conclusion: The IQM detected most errors and performed as well as currently established phantoms with the advantage that it can be used throughout the whole treatment. Drawback is that it does not indicate the source of the error.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

Moisture Durability Assessment of Selected Well-insulated Wall Assemblies

This report presents the results from studying the hygrothermal performance of two well-insulated wall assemblies, both complying with and exceeding international building codes (IECC 2015 2014, IRC 2015). The hygrothermal performance of walls is affected by a large number of influential parameters (e.g., outdoor and indoor climates, workmanship, material properties). This study was based on a probabilistic risk assessment in which a number of these influential parameters were simulated with their natural variability. The purpose of this approach was to generate simulation results based on laboratory chamber measurements that represent a variety of performances and thus better mimic realistic conditions. In total, laboratory measurements and 6,000 simulations were completed for five different US climate zones. A mold growth indicator (MGI) was used to estimate the risk of mold which potentially can cause moisture durability problems in the selected wall assemblies. Analyzing the possible impact on the indoor climate due to mold was not part of this study. The following conclusions can be reached from analyzing the simulation results. In a hot-humid climate, a higher R-value increases the importance of the airtightness because interior wall materials are at lower temperatures. In a cold climate, indoor humidity levels increase with increased airtightness. Air leakage must be considered in a hygrothermal risk assessment, since air efficiently brings moisture into buildings from either the interior or exterior environment. The sensitivity analysis of this study identifies mitigation strategies. Again, it is important to remark that MGI is an indicator of mold, not an indicator of indoor air quality and that mold is the most conservative indicator for moisture durability issues.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Ombuds Office 2023 Biennial Report

The Los Alamos National Laboratory (LANL) Ombuds Charter requires the Ombuds Office to issue a report every two years to the Laboratory Director. The prior Ombuds Biennial Report was published in July of 2021, celebrating 25 years of Ombuds history at the Lab. This 2023 report details office transitions and new initiatives over the past two years, along with our ongoing conflict resolution work of one-on-one discussions, classes, presentations, workshops, and facilitations. The Ombuds Office supports the mission of LANL in myriad ways. We champion the LANL culture statement of “ How we do work is as important as What we do,” and we reinforce LANL’s values of integrity, service, excellence, and teamwork. Accordingly, the mission of the Ombuds Office is to support employees in their work, enhance communication, mitigate conflict, and encourage a positive working environment. The Ombuds Office adheres to the International Ombuds Association’s (IOA) Standards of Practice and Code of Ethics (see Appendix). As such, the Ombuds Office is informal, confidential, impartial, and independent. We do not advocate for managers or employees. We don’t tell people what to do; we don’t give advice. All of our services are voluntary. LANL employees seek out the Ombuds Office as a neutral place where they can collect their thoughts, whether in person, on the phone, or online. We help individuals explore and navigate tough issues. Employees expand their understanding of their options, assess what is within their control, and decide what is in their best interest. The Ombuds Office promotes smart, professional conflict management. This report highlights the work of the Ombuds Office and provides a closer look at both quantitative and qualitative data, including anecdotal information and endorsements. It concludes with a discussion of further opportunities to expand the reach of the Ombuds Office to more LANL employees.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2013

GRID-BASED EXPLORATION OF COSMOLOGICAL PARAMETER SPACE WITH SNAKE

We present a fully parallelized grid-based parameter estimation algorithm for investigating multidimensional likelihoods called Snake, and apply it to cosmological parameter estimation. The basic idea is to map out the likelihood grid-cell by grid-cell according to decreasing likelihood, and stop when a certain threshold has been reached. This approach improves vastly on the 'curse of dimensionality' problem plaguing standard grid-based parameter estimation simply by disregarding grid cells with negligible likelihood. The main advantages of this method compared to standard Metropolis-Hastings Markov Chain Monte Carlo methods include (1) trivial extraction of arbitrary conditional distributions; (2) direct access to Bayesian evidences; (3) better sampling of the tails of the distribution; and (4) nearly perfect parallelization scaling. The main disadvantage is, as in the case of brute-force grid-based evaluation, a dependency on the number of parameters, N{sub par}. One of the main goals of the present paper is to determine how large N{sub par} can be, while still maintaining reasonable computational efficiency; we find that N{sub par} = 12 is well within the capabilities of the method. The performance of the code is tested by comparing cosmological parameters estimated using Snake and the WMAP-7 data with those obtained using CosmoMC, the current standard code in the field. We find fully consistent results, with similar computational expenses, but shorter wall time due to the perfect parallelization scheme.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Optimizing Geothermal Drilling: Oil and Gas Technology Transfer

There is a significant amount of financial risk associated with geothermal drilling; however, there are opportunities to improve upon current practices and technologies used. The scope of this drilling operational study included 21 geothermal wells and 21 oil and gas wells. The goal was to determine a 'perfect well' using historical data to compare the best oil and gas well to the best geothermal well. Unfortunately, limitations encountered in the study included missing data (bit records, mud information, etc.), poor data collection, and difficult to ascertain handwriting. An online software database was used to format drilling data to IADC coded daily drilling reports and generate analysis figures. Six major issues have been found in geothermal drilling operations. These problems include lost circulation, rig/equipment selection, cementing, penetration rate, drilling program, and time management. As a result of these issues, geothermal drilling averages 56.4 days longer than drilling comparable oil and gas wells in the wells in this study. Roughly $13.9 million would be lost due to non-productive time in the 21 geothermal wells and only $1.3 million in the oil and gas wells, assuming a cost of $50,000 per day. Comparable events such as drilling the same sized hole, tripping in/out, cementing, and running the same size casing took substantially less time in the oil and gas wells. Geothermal wells were drilled using older and/or less advanced technology to depths less than 10,000 feet, while oil and gas wells reached 12,500 feet faster with purpose built rigs. A new approach is now underway that will optimize drilling programs throughout the drilling industry. It is the use of Mechanical Specific Energy (MSE) as a tool to realize efficient drilling processes. However, a work-flow must also be established in order for there to be an efficient drilling program. Potential improvements for current geothermal operations are: the use of electronic records, real time services, and official glossary terms to describe rig operations, and advanced drilling rigs/technology.

15 GEOTHERMAL ENERGY↗

DOE OSTI2018

Centrifugal particle confinement in mirror geometry

The use of supersonic rotation of a plasma in mirror geometry has distinct advantages for thermonuclear fusion. The device is steady state, there are no disruptions, the loss cone is almost closed, sheared rotation stabilizes magnetohydrodynamic instabilities as well as plasma turbulence, there are no runaway electrons, and the coil configuration is simple. In this work, we examine the effect of rotation on mirror confinement using a full cyclotron orbit code. The full cyclotron simulations give a much more complete description of the particle energy distribution and losses than the use of guiding center equations. Both collisionless loss as a function of rotation and the effect of collisions are investigated. Although the cross field diffusion is classical, we find that the local rotating Maxwellian is increased to higher energy, increasing the fusion rate and also enhancing the radial diffusion. We find a loss channel not envisioned with a guiding center treatment, but a design can be chosen that can satisfy the Lawson criterion for ions. Of course, the rotation has a minimal effect on the alpha particle birth distribution, so there is initially loss through the usual loss cone, just as in a mirror with no rotation. However after this loss, the alphas slow down on the electrons with little pitch angle scattering until reaching low energy, so over half of the initial alpha energy is transferred to the electrons. The important problem of energy confinement, with losses primarily through the electron channel, is not addressed in this work. In conclusion, we also discuss the use of rotating mirror geometry to produce an ion thruster.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Analysis and modeling of tungsten emission and net erosion in the DIII-D divertor using updated atomic data

Tungsten (W) is one of the leading candidate materials for plasma-facing components. However, its main drawback is its high radiative efficiency; if W penetrates the plasma, it can lead to core degradation or even collapse. Since eroded tungsten tends to ionize in the sheath and redeposit promptly, the net erosion flux that escapes prompt redeposition can differ significantly from the gross erosion. This work presents a modeling framework to estimate net erosion and photon emission from W coatings exposed to the lower divertor of DIII-D using the DiMES material exposure probe. The approach couples RustBCA for sputtering yields with a Monte Carlo transport code (LPTMC) that models redeposition and W emission. Computation is carried out with new atomic data, based on R-matrix and Mons calculations, leading to lower ionization probabilities and a twofold increase in net erosion estimates compared to calculations done with OPEN-ADAS atomic data. The model results are benchmarked against experimental measurements, showing quantitative agreement for erosion, although the trends in W emission are reproduced only qualitatively. The model is also used to assess whether W II emission can serve as a direct measurement of the net erosion of W in the lower divertor of DIII-D. Simulations show that this is not valid if the electron pressure is above ~120 Pa or if the toroidal length of the eroded material is smaller than the parallel-to-B distance traveled by impurity ions before steady-state conditions are reached. Finally, simulations suggest that when W is sputtered by carbon ions with high impact energies (≳300 eV) in DIII-D, W net erosion scales with W gross erosion and can be numerically approximated using W I flux alone as input.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Optimizing Geothermal Drilling: Oil and Gas Technology Transfer

There is a significant amount of financial risk associated with geothermal drilling. This study of drilling operations seeks opportunities to improve upon current practices and technologies. The scope of this study included analyzing 21 geothermal wells and 21 oil and gas wells. The goal was to determine a 'Perfect Well' using historical data to compare the best oil and gas well to the best geothermal well. Unfortunately, limitations encountered in the study included missing data (bit records, mud information, etc.) and poor data collection practices An online software database was used to format drilling data to IADC coded daily drilling reports and generate figures for analysis. Six major issues have been found in geothermal drilling operations. These problems include lost circulation, rig/ equipment selection, cementing, penetration rate, drilling program, and time management. As a result of these issues, geothermal drilling averaged 56.4 days longer than drilling comparable oil and gas wells in the wells in this study. Roughly $13.9 million was spent on non-productive time in the 21 geothermal wells, compared with only $1.3 million in the oil and gas wells, assuming a cost of $50,000 per day. Comparable events such as drilling the same sized hole, tripping in/out, cementing, and running the same size casing took substantially less time in the oil and gas wells. Geothermal wells were drilled using older and/or less advanced technology to depths less than 10,000 feet, while oil and gas wells reached 12,500 feet faster with purpose built rigs. A new approach is now underway that will optimize drilling programs throughout the drilling industry using Mechanical Specific Energy (MSE) as a tool to realize efficient drilling processes. Potential improvements for current geothermal operations are: the use of electronic records, real time services, and official glossary terms to describe rig operations, and advanced drilling rigs/technology.

15 GEOTHERMAL ENERGY↗

DOE OSTI2013

Validation of Non-Invasive Waste Assay System (Gamma Box Counter) Performance at AECL Whiteshell Laboratories - 13136

Low-level radioactive waste (LLW) in solid form, resulting from decommissioning and operations activities at AECL's Whiteshell Laboratories (WL), is packaged in B-25 and B-1000 standard waste containers and characterized before it is shipped to an on-site interim storage facility, pending AECL decisions on long term management of its LLW. Assay of the waste packages before shipment contributes to an inventory of the interim storage facility and provides data to support acceptance at a future repository. A key characterization step is a gamma spectrometric measurement carried out under standard conditions using an automated, multi-detector Waste Assay System (WAS), purchased from Antech Corporation. A combination of ORTEC gamma acquisition software and custom software is used in this system to incorporate multiple measurements from two collimated high-resolution detectors. The software corrects the intensities of the gamma spectral lines for geometry and attenuation, and generates a table of calculated activities or limits of detection for a user-defined list of radioisotopes that may potentially be present. Validation of WAS performance was a prerequisite to routine operation. Documentation of the validation process provides assurance of the quality of the results produced, which may be needed one or two decades after they were generated. Aspects of the validation included setting up a quality control routine, measurements of standard point sources in reproducible positions, study of the gamma background, optimization of user-selectable software parameters, investigation of the effect of non-uniform distribution of materials and radionuclides, and comparison of results with measurements made using other gamma detector systems designed to assay bulk materials. The following key components of the validation process have been established. A daily quality control routine has been instituted, to verify stability of the gamma detector operation and the background levels. A test box containing plywood (specific gravity 0.5) with holes for reproducible positioning of known point sources has been constructed and used in several configurations. Gamma spectra have been processed multiple times with user-adjustable parameters set to a variety of values to gain agreement on the most appropriate settings. A similar optimization process was followed with the custom software provided by the instrument manufacturer to reach agreement on the most stable settings for reliable results. Measurements made with the Canberra In-Situ Object Counting System (ISOCS) instrument were compared with the WAS results as part of an estimate of instrument precision and accuracy. The validation report will conclude with recommendations for the configuration, appropriate use and limitations of the Waste Assay System. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Advanced Potential Energy Surfaces for Molecular Simulation

Advanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models and algorithmic improvements that can ameliorate their cost, underdeveloped interfaces and limited dissemination in computational code bases that are widely used in the computational chemistry community, and software implementations that have not kept pace with modern high-performance computing (HPC) architectures, such as multicore CPUs and modern graphics processing units (GPUs). Here in this Feature Article we review recent progress made in these areas, including well-defined polarization approximations and new multipole electrostatic formulations, novel methods for solving the mutual polarization equations and increasing the MD time step, combining linear-scaling electronic structure methods with new QM/MM methods that account for mutual polarization between the two regions, and the greatly improved software deployment of these models and methods onto GPU and CPU hardware platforms. Finally, we have now approached an era where multipole-based polarizable force fields can be routinely used to obtain computational results comparable to state-of-the-art density functional theory while reaching sampling statistics that are acceptable when compared to that obtained from simpler fixed partial charge force fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Analytic Modeling of a Deep Shielding Problem

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than "building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of MCNP, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers. In this paradigm, reduced complexity computational and analytical models still have an important purpose. The explicit form of an analytic solution is arguably the best way to understand the qualitative properties of simple models. In contrast to "building up" a complex problem through understanding simpler problems, results from detailed computational scenarios can be better explained by "building down" the complex model through simple models rooted in the fundamental or essential phenomenology. Simplified analytic and computational models can be used to 1) increase a user's confidence in the computational solution of a complex model, 2) confirm there are no user input errors, and 3) ensure essential assumptions of the simulation tool are preserved. This process of using analytic models to develop a more valuable analysis of simulation results is named the results analysis methodology. The utility of the results assessment methodology and a complimentary sensitivity analysis is exemplified through the analysis of the neutron flux in a dry used fuel storage cask. This application was chosen due to current scientific interest in used nuclear fuel storage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than "building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of the Monte Carlo N-Particle radiation transport simulation tool, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers. In this paradigm, reduced complexity computational and analytical models still have an important purpose. The explicit form of an analytic solution is arguably the best way to understand the qualitative properties of simple models. In contrast to "building up" a complex problem through understanding simpler problems, results from detailed computational scenarios can be better explained by "building down" the complex model through simple models rooted in the fundamental or essential phenomenology. Simplified analytic and computational models can be used to 1) increase a user's confidence in the computational solution of a complex model, 2) confirm there are no user input errors, and 3) ensure essential assumptions of the simulation tool are preserved. This process of using analytic models to develop a more valuable analysis of simulation results is named the results assessment methodology. The utility of the results assessment methodology and a complimentary sensitivity analysis is exemplified through the analysis of the neutron flux in a dry used fuel storage cask. This application was chosen due to current scientific interest in used nuclear fuel storage.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than "building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of the Monte Carlo N-Particle radiation transport simulation tool, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers. In this paradigm, reduced complexity computational and analytical models still have an important purpose. The explicit form of an analytic solution is arguably the best way to understand the qualitative properties of simple models. In contrast to "building up" a complex problem through understanding simpler problems, results from detailed computational scenarios can be better explained by "building down" the complex model through simple models rooted in the fundamental or essential phenomenology. Simplified analytic and computational models can be used to 1) increase a user's confidence in the computational solution of a complex model, 2) con firm there are no user input errors, and 3) ensure essential assumptions of the simulation tool are preserved. This process of using analytic models to develop a more valuable analysis of simulation results is named the results assessment methodology. The utility of the results assessment methodology and a complimentary sensitivity analysis is exempli fied through the analysis of the neutron flux in a dry used fuel storage cask. This application was chosen due to current scientific interest in used nuclear fuel storage.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗