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DOE OSTI2019

EM Program Expectations on Implementation of DOE O 458: Radiation Protection of Public/Environment - 19553

DOE Order 458.1, Radiation Protection of the Public and Environment, was issued in 2011. DOE sites were given 18 months to implement. The revised Order promulgates requirements for property clearance actions and independent verification. DOE Order 458.1 allows for preapproved authorized limits for the clearance of property. However, when property with the potential to contain residual radioactive material does not meet preapproved authorized limits, an authorized limits package must be developed. The Order contains a range of requirements for demonstrating with reasonable assurance that dose constraints are met for any actual or likely future use of the property to be released. EM has developed a draft guidance document that provides the elements of an authorized limits package. These elements are used to review all authorized limits packages that are submitted to EM. Expected elements include property description and process knowledge documentation, current and likely future use, the conceptual site model, dose modeling methodologies, specific authorized limits, dose- or concentration-based constraints, collective dose estimate to the potentially exposed population, stakeholder communications, description of the As Low As Reasonably Achievable (ALARA) analysis, implementation plan, evaluation of difficult to assess surfaces, and independent verification plan. The draft guidance document also provides further explanation of the desired elements of an independent verification (IV) plan. An IV plan should describe the planning phase, implementation phase, assessment phase, and decision phase of an activity. The planning phase includes scope and cost, concurrent with cleanup contractor procurement, and review and approval of site radiological survey clearance program and IV program plans. The implementation phase assures sufficient collection of data and adjustment can be made as necessary. During the assessment phase, data and reports are reviewed, and coordination between the clean-up contractor and IV personnel occurs. A decision of whether or not the clearance actions need to be altered occurs during the decision phase. IV certification that the clearance action is complete also occurs during the decision phase. Issuance of the final guidance document is meant to improve the consultation process and minimize iterative interactions with EM. Standardizing and formalizing property clearance and IV actions also helps assure that cleanup actions are transparent and sustainable for future scrutiny. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Loading Capabilities of Irradiated 3-D Printed Polymers

Gamma radiation is the emission of a high-energy photon from a radioactive source. The photon then interacts with an atom potentially damaging it. While time has shown that gamma radiation has a little effect on metals, the same cannot be said about plastic. The use of these types of materials in radioactive areas has increased for many reasons ranging from the weight difference between plastics and metals to the costs associated with doing so. For example, a potential use for radiation resistant plastics could be longer lasting, cost effective, and light weight radiation detection devices sent to probe an area that may present unsafe conditions for humans to survey. For these reasons and more, finding a plastic polymer that can withstand radiation for an extended period of time would make a great impact on the nuclear industry. In this experiment, two different polymers will undergo a series of strength tests before and after being exposed to radiation after different amounts of time up to two weeks. There are two sets of plastic polymers that will be used. Each set will consist of an nonirradiated, control subset, and subsets subject to radiation for one day, one week, and two weeks. The radiation source is 1100 Ci cobalt- 60. The specimens are placed on a foam platform such that they will be exposed as evenly as possible. They are then lowered into the radiation chamber where they are surround by cobalt-60 sources and irradiated for the given amount of time. The specimens will be tested for tensile strength and flexural strength according to ASTM standards. For tensile testing, the specimen has a 'dog bone' shape. The specimen is gripped at the wide ends, and pulled away from the center at a constant rate until failure. To test flexural strength, the specimens will be subject to a 3-point bend test. The specimen is held in place by three points, center top side and both ends bottom side. Load is applied at a constant rate on the center of the specimen until failure. The calculations to be considered for comparison after performing these tests include the tensile strength and stress, elongation, flexural stress and strain, and elasticity. Once these tests are completed, testing specimens that have been 3D printed with different print orientations will be considered and tested. The results from both experiments will help create strong, radiation resistant products in a expeditious manner that could really push the current limitations and expand the use of radiation resistant material.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Spent Nuclear Fuel Exploratory Roadmaps - 20054

The U.S. Department of Energy manages nearly 2,500 metric tons of heavy metal (MTHM) of spent nuclear fuel (SNF) resulting from several decades of research, testing, and production reactors [DOE 1995]. This SNF is managed at the DOE Hanford Site in Washington State (Hanford), Idaho National Laboratory (INL), and Savannah River Site in South Carolina (SRS). From 1995 to 2004, the Department of Energy (DOE) made several key programmatic decisions, supported by appropriate documentation in accordance with the National Environmental Policy Act (NEPA) for the management of SNF [DOE 1995]. These decisions have provided an overarching framework for SNF management, as well as site-specific and SNF-related management decisions for the past two decades. In the years since these decisions were made, with the notable exception of the successful drying and packaging of the production reactor fuel at Hanford, a majority of the decisions have been largely unimplemented. Also, since these decisions were made, a number of changes that bear on considerations relative to the path forward have occurred. A SNF Exploratory Road map activity, identified reasonable alternate pathways for DoE's inventory of SNF. Three fundamental pathways were identified in this activity for the long-term management and disposition of DOE SNF: Direct Disposal Pathway, Existing Processing Pathway and Alternate Processing Pathway. Further actions would be required (e.g., evaluation of NEPA analysis, technology maturity evaluations, refinement of cost and risks, benefits and advantages relative to other alternate paths) to define and inform many key decisions that will result in the selection of the disposition pathways that are most beneficial to the US Government in dispositioning DoE's SNF inventory. DOE is currently managing all SNF safely; however, the age of DOE-owned SNF and facilities for storing and processing SNF, coupled with the uncertainty of the storage duration, necessitates decisions and actions to ensure that the infrastructure will be in place to ensure continued safe and effective long-term management and eventual disposal. The identification of reasonable alternate pathways took these considerations into account in an effort to proactively manage conditions that could challenge the safety of storing and managing DOE SNF over the time periods now contemplated and also to ensure that flexibility is preserved to ensure that the DOE SNF remains compatible with final disposition pathways when they become available. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

The Cost of (In-) Accurate Waste Characterization in the U.S. Nuclear Power Industry - 20066

Proper disposal of waste has never been a human priority. Our history is full of examples of throwing away things with minimal effort or thought to consequence. That is until disease or toxicity become apparent and we realize we need to change. Unfortunately, we almost never have all the information we need at the time we make decisions. In addition to the technical and scientific issues, profits and politics are also factors. Newton's third law also applies to politics and so for every policy (action) put in place, there will be (opposite reaction) forces in play to push back against it. These forces are seldom balanced and so the reaction to the discovery of harm is to over-correct and destroy the benefit to be had. This of course causes those who want the benefit, or profit from it, to work to undermine or repeal those measures put in place to eliminate the harm. The issue is exacerbated when the problem to be solved is highly technical and at the edge of our science so that the harm and benefit cannot be easily or accurately quantified. At these times, reason often goes out the window and our decision makers are influenced by either greed or fear as these emotions are much easier to stoke. Those of us in the middle, with the charge to 'do the right thing for the least cost', are therefore frequently constrained and forced into actions that are neither technically the right thing to do and not cost effective. The cost of radioactive waste disposal is based on the concentrations of various radioisotopes in the waste. Some of these isotopes are relatively easy to quantify and some are not. Most laboratory methods for quantification are limited in the amount of activity that can be present during the measurement process. Current nuclear plants were not designed with the idea that taking truly representative waste samples would be important. The limits used to define waste class and therefore cost are precisely defined but the methods for determining those concentrations are far less precise. Improving the accuracy of radioactivity concentrations in waste and having consistent and reasonable oversight can reduce waste costs through active management of the process. So what can we do about it? Science may provide an answer. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Chromate Removal by Long Life IX Resins Without Continuous pH Adjustment - 20083

Long life resins are available for chromate removal from water but have traditionally had the disadvantage of requiring pH adjustment, first to reduce pH before treatment, and then to raise pH following treatment. The requirement for double pH adjustment leads to a significant increase in TDS, added complexity, risks associated with the use of strong acids and bases, and the ongoing costs of purchasing and using these chemicals. The mechanism of removal in long life resins used for chromate removal is ion exchange, followed by reduction of hexavalent chromium to trivalent chromium, followed by immobilization of trivalent chromium within the IX resin polymer. The second step is rate limiting and pH dependent and is the reason why lowering pH before treatment has until now been necessary. However, there is a reasonably simple way to use these long life resins that does not require continuous pH adjustment. By taking a portion of the treatment vessels off line and soaking them in a low pH solution, the rate constant for the reduction step is increased sufficiently to catch up, making the ion exchange step the limiting factor. The long life resin is effectively regenerated by the low pH soaks. Rejuvenated resin beds can then be put back on line and operated at the natural pH of the feedwater. This method of operation is protected by US Patent no. US20150136706A1. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Application of Variance Reduction Techniques in RMC Burnup and Thermal-Hydraulic Coupled Calculation

In reactor analog simulation, the Monte Carlo method has relatively high fidelity since it can reduce calculation errors resulting from using approximation methods by describing complex geometry and neutron energy spectra. The Monte Carlo method is, in essence, a stochastic simulation of the neutron transport process, and statistical uncertainty of all the computed results must be provided. In large-scale reactor computation, this method can accurately estimate integral quantities such as the effective multiplication factor (K{sub eff}), and it can limit the uncertainty within an acceptable range via reasonably selecting simulation particles. Nevertheless, it faces great challenges in estimating local quantities like neutron flux and fission power, with uncertainty of estimators beyond acceptance. To decrease the uncertainty of local quantities by increasing simulation particles may cost much time and reduce efficiency. The main reasons are as follows. Firstly, the scale of reactors is so large that common pressurized water reactors have tens of thousands of lattice cells; secondly, uneven distribution of neutron flux and fission power causes uneven distribution of uncertainty. Smith K. puts forward the 95/95 principle to estimate whether uncertainty calculated with Monte Carlo Code satisfies the requirement. According to the principle, with a confidence level of 95%, statistical errors of power density in more than 95% of the regions should be less than 1%. To meet the requirement of the principle, the uniform fission site (UFS) method is raised currently. UFS aims at redistributing fission sources to uniformize the fission source sampling, which can make statistical variance distribution more uniform. This method, which is easy to use, will not obviously increase computation time. Many studies show that UFS has a good variance reduction effect in Monte Carlo criticality calculation, but less attention is paid to its performance in burnup calculation and thermal-hydraulic coupled calculation. Uncertainty arising from the Monte Carlo method has a large impact on burnup calculation and thermal-hydraulic coupled calculation. Variance propagates between burnup steps and between iterative steps of coupled calculation, which causes asymmetry of results of the physical symmetrical regions and instability of coupled iterative convergence errors. To further verify the effect of UFS, this study uses it in the RMC (the Reactor Monte Carlo code) burnup calculation module and the neutronics/thermohydraulics coupled calculation module, and conducts two-dimensional pressurized water reactor burnup calculation and BEAVRS benchmark thermalhydraulic coupled calculation. In this way, it verifies the improvement effect of UFS on variance propagation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

A Proposed Correlation for Critical Flow Rate of Steam/Water Flow

In the safety analysis of loss-of-coolant-accident (LOCA) and steam generator tube rupture (SGTR) scenarios of light water reactors, a modeling of a break is very important to predict the accident's result. For example, the design of a break simulator to simulate a LOCA in light water reactors requires accurate knowledge of the leakage flow through the break, whose shape can be assumed as an orifice or a nozzle according to the characteristics of the break shape. In the case of a small-break LOCA (SBLOCA) scenario, the critical flow mostly occurs by sub-cooled and saturated liquid water including a two-phase water flow at relatively high-pressure conditions. Among previous critical flow maps, Moody's maps are well known for their critical flow rate and pressure of a single component and two-phase mixture with respect to the upstream enthalpy and pressure. In Moody's model, a slip ratio defined by maximizing the critical flow rate with respect to the slip ratio was introduced, and thus its predictions tended to be too conservative. Later, Moody suggested other maps based on a homogeneous equilibrium model (HEM), and they were useful to predict a choked condition for a given upstream condition. However, their predictions of the critical flow rate seemed to show quite an underestimation compared to various test data. The author suggested more practicable critical flow maps for a critical mass flux and pressure of a steam-water flow with respect to the upstream stagnation conditions using an extended Henry-Fauske model. From a comparison with the selected test data, suggested maps showed conservative predictions within reasonable ranges. In this report, a new correlation for the critical flow rate was developed to simulate the suggested critical flow maps within a reasonable range of error. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

A New Look at Historic CRAC 'Divergence' Experiments - Implications for a CAAS Minimum Accident of Concern

This paper examines power history parameters and results based on historic fissile solution criticality 'divergence' experiments (referenced here as Divergence Experiments) from the 1960's-70's' Consequences Radiologiques d'un Accident de Criticite' (CRAC) campaign. The results from specific Divergence Experiments have implications for an ANSI/ANS-8.3 (1997) Criticality Accident Alarm System (CAAS) Minimum Accident of Concern (MAC). Specifically, this paper examines select CRAC Divergence Experiments in conjunction with 'qualifying reactivity additions' for a MAC defined by an absolute time constraint. A previous paper presented at the 2011 International Conference on Nuclear Criticality (ICNC 2011) illustrated the differences in 'qualifying reactivity additions' above delayed critical (and below prompt) for a variety of MAC constructs. That paper was the first to examine delayed critical kinetics in greater detail over a range of process and MAC considerations. The ICNC2011 work did not consider an absolute MAC time constraint from the excursion onset and assumed an initial excursion power. That study evaluated MAC constructs based on 'relative time differences' between reaching a specific fission rate and total fissions. The work presented here thus picks up where the ICNC2011 study left off. The primary focus of this work provides simulated power histories for specific Divergence Experiments that served as a basis for justifying a MAC noted in ANS-8.3 Appendix A. This paper documents computational modeling and dynamic multiphysics simulation with known Divergence Experiment parameters for reactivity additions at, below, and above the reported terminal reactivity. The initial step considers replicating what could be a reasonable power history for the terminal reactivity addition to the extent the same peak power and total fissions are obtained over the total time considered. Power histories for all other reactivity additions are simulated by varying the input reactivity and solution heights for the same model. A relationship is obtained between reactivity addition and the time to reach specific MAC power and fission levels within a given time constraint (e.g. 60 s). The 'qualifying reactivity addition' is determined for the total MAC fissions within that time. This value is then compared to the historic terminal value (e.g. $0.33) or any other values (e.g. 'excess reactivity of only a few cents') noted in ANS-8.3 Appendix A. In general, calculated MAC power levels have ranged from 1.8 kW to 173 kW depending on material type and form, H/U, enrichment, critical volume, and dose response function. A minimum accident consideration noted a SHEBA experiment with an excess reactivity 7 cents above delayed critical (TD ∼110 s). This excursion provided an additional 10{sup 15} fissions after an undetermined buildup time resulting in a 'few times 10{sup 15} fissions'. ICNC 2011 LEU solutions calculations show 0.2 Gy in air corresponds to 1.4 x10{sup 16} fissions. Thus, while historically, 0.2 Gy has been loosely associated with 'several times 10{sup 15} fissions', in reality, the actual total fissions could be an order of magnitude larger, and the power associated with 0.2 Gy/min (7.5 kW) larger as well. The reactivity addition required to obtain the actual 0.2 Gy total fissions over 60 s could be much larger than considered. Another reason the qualifying reactivity level could be larger than previously noted, involves temperature reactivity feedback. Compensated reactivity results in a departure from a pure exponential power rise, increasing the doubling time (TD) as the excursion approaches peak power. Uncompensated reactivity additions and constant TD have been traditionally assumed for a pure exponential power rise through the kW range to determine either total MAC fissions, power, or arrival time to these values.

42 ENGINEERING↗

DOE OSTI2017

Adjusted Graphite Thermal Scattering Data Applied to Fluoride-Salt-Cooled Reactors

Thermal scattering data is a key component of fission reactor simulation. While most materials can be reasonably modeled with a free gas approximation, the moderators in thermal systems require a more rigorous treatment to sufficiently capture their specific neutron interaction physics. Graphite does not typically feature as a principle moderator in power reactors in service today, but remains an attractive prospect for a number of new reactor concepts currently in development. In comparison to light water, a material nearly ubiquitous in thermal reactors, graphite offers a better neutron economy by way of a small absorption cross section, high thermodynamic stability and can be incorporated into the structure of the core itself. Graphite in its purest form is a crystalline material composed of stacked layers of graphene, a hexagonal planar lattice of carbon atoms. In-plane, each carbon atom is covalently bonded to 3 neighbouring carbon atoms, creating a strong bond, while between planes only a weak van der Waals force exists. Pure graphite has a density of 2.26 g/cm{sup 3}. However, reactor-grade contains a significant amount of carbon binder, leading to a porous bulk medium with randomly oriented micro crystals. Densities of 1.5 - 1.9 g/cm{sup 3} are typical for reactor-grade graphite, corresponding to porosities on the order of 10-30%. This deviation from pure crystalline graphite should be accounted for in the thermal scattering data. When an incident neutron is in or near the thermal region, its de Broglie wavelength is the same order as the molecular bond lengths, leading to elastic scattering. At similar energies, the dynamics of the moderator lattice (in the case of solid moderators) can cause inelastic scattering. For these moderators, special cross sections should be calculated and used in reactor simulations. To generate this thermal scattering data, parameters pertaining to the properties and structure of the material in question are fed into a nuclear data processing code, such as NJOY. Within NJOY is a module called LEAPR which is used to generate the thermal scattering law S(α,β), which is in turn is fed into another module THERMR which is used to generate thermal cross sections that factor in the molecular-scale scattering phenomena. The core of the thermal scattering law is the phonon spectrum ρ(β) which describes the modes of excitation of the material lattice. An investigation into the phonon frequency spectrum was conducted at North Carolina State University (NCSU) for reactor-grade graphite which accounts for porosity. This phonon spectrum was calculated using the ab initio density functional theory (DFT) code VASP. The inelastic cross section calculated using this spectrum was found to have good agreement with relevant experimental data. The resulting spectra differed from the benchmark spectrum produced by Young and Koppel, the same data used in current nuclear data evaluations. The latter uses the lattice dynamics of perfect crystalline graphite with four force constants fitted to the model from thermodynamics data from reactor-grade (porous) graphite, which yields a reasonable approximation to the phonon spectrum of reactor-grade graphite.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Use of spectral shift to greatly improve uranium utilisation in FHR designs

Fluoride-salt-cooled high-temperature reactors (FHRs) are thermal-spectrum nuclear reactors defined by their use of liquid-fluoride-salt coolants, together with tri-isotropic (TRISO)-coated particle fuels and graphite moderator materials (Forsberg, 2004). FHRs are also characterized by their improved thermodynamic efficiency relative to gas-cooled reactors. The liquid salt coolant is designed to operate with high core outlet temperature and nearly atmosphere pressure. These features allow the FHR to possess higher core power density compared to gas-cooled TRISO-based systems. However, industry fabrication limitations result in a low volumetric fraction of fuel kernel in TRISO particles. In order to obtain reasonable operation periods, the enrichment needs to be in the high LEU (low enriched uranium) range as was proposed in the original design (Greene, 2010). Recent studies (Ilas, 2014) presented newly repurposed SmAHTR-CTC reactor concept that relies on prior experience obtained from the 2010 initial SmAHTR design (Greene, 2010). This design consists of 19 hexagonal fuel assemblies arranged in a 3-ring hexagonal geometry with 18 fuel plates each. The active length of fuel plates in each fuel assembly is 4 meters. The proposed SmAHTR-CTC achieves substantial improvements from the neutronic performance standpoint over the original concept. The results indicate that a fuel cycle length of over two years with discharged fuel burnup of 40 gigawatt-day per metric ton of initial heavy metal (HM) is possible with an 8% fuel enrichment in a once-through fuel cycle. However, the lower uranium enrichment loading requires a more frequent refueling strategy and hence considerably reduces the cycle length. It is necessary to achieve reasonable cycle length values but at the same time to extend the residence time of the fuel, especially since the costs associated with TRISO-fuel are substantially higher (Shropshire et al., 2008) than traditional UO{sub 2} fuel ($10,000/kg for TRISO vs $200/kg for UO{sub 2}). This paper presents an approach to extend the operational time and improve fuel utilization of FHR by means of spectral shift control. This is achieved by incorporating movable graphite structures into the design, instead of the static graphite blocks presently envisaged. At beginning of life (BOL), the graphite structures are withdrawn. The reactor is under-moderated, with excess neutrons being primarily captured in {sup 238}U, breeding {sup 239}Pu. Towards the end of life (EOL), the graphite structures are inserted, thermalizing the neutron spectrum and increasing reactivity. The extra {sup 239}Pu bred during the cycle is then burned, allowing the cycle and discharge burnup to be extended. Such movable structures regime should be feasible from an engineering point of view, given that it is broadly equivalent to inserting and withdrawing control rods. The preliminary results indicate that such a design may considerably improve the fuel utilization.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2014

Estimates of Internal Dose Resulting from I-131 Patients in Hotels - Paper 147

U.S. Nuclear Regulatory Commission Regulatory Guide 8.39 provides the following estimate to the maximum internal committed effective dose, CED{sub i}, to an individual from a released patient having received radionuclide therapy: CED{sub i} = 10{sup -5} Q{sub adm} DCF where Q{sub adm} = activity administered to the patient (Bq), DCF = ingestion dose coefficient (Sv/Bq). Since many released patients stay in a hotel for a day or two after administration of the I-131, an effort was made to provide reasonable estimates of internal committed effective dose to a housekeeper at a hotel. Reasonable exposure scenarios are presented herein with the resulting doses. The value 10{sup -6} from a health physics 'rule of thumb' for intake in workplace environments, and explored by Brodsky, was multiplied by a factor of 10 to account for the most highly exposed individual and to add a degree of conservatism to the evaluation. The ingestion dose coefficient was used since it was felt that the maximum internal intake would either be via the skin or mouth. The scenarios investigated to date and presented herein show rather low potential doses of hotel housekeepers due to internal contamination. The internal doses are conservative since they assume the immediate release and placement of the patient in the hotel or household. The existing Reg. Guide 8.39 internal dose estimate appears to be very conservative and are very low in comparison to external gamma ray dose due to released patients. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2015

The criticality incident detection system omission cases for the fuel routes at EDF energy power stations - 14280

Criticality safety cases have been produced to justify the omission of criticality alarms from the fuel routes of EDF Energy's UK power stations. This work has addressed the UK regulator's expectations that adequate criticality warning systems should be provided wherever fissile material is present, unless a safety case shows that no criticality excursion could give any individual a whole body dose exceeding the annual whole body dose limit of 20 mSv, or that the predicted frequency of such excursions is acceptably low. In the UK, EDF Energy operates eight nuclear power stations; one Pressurized Water Reactor (PWR) and seven Advanced Gas-cooled Reactor stations (AGRs). At these stations, the term 'fuel route' is used to encompass all of the ex-reactor arrangements for the handling and storage of both new fuel and discharged irradiated fuel. These fuel routes were all designed in the 1980's (or earlier), using sound deterministic criticality safety principles, from which it was concluded that criticality alarms were not required in any of these areas. Subsequent changes to UK regulations have resulted in the need for the stations' criticality safety cases to be updated to include formal justifications for the omission of criticality alarms from these fuel routes. The EDF Energy Criticality Incident Detection System (CIDS) omission cases have been produced using the principles originally developed for UKAEA in the early 1960's by Aspinall and Daniels. These principles continue to be regarded as a best-practice approach by UK industry. Modern UK regulations also incorporate the ALARP principle, which requires operators to minimize and balance all of the safety risks from power station operations, so that the risks to both the public and to workers are As Low As is Reasonably Practicable. This paper describes how the work undertaken used the so-called Aspinall and Daniels criteria in conjunction with the requirements of the ALARP principle. The fuel storage pond at the Sizewell B PWR was addressed by dose calculations to show that, from the shielding effects of the concrete structure and the pond water, the potential consequences of a criticality accident could not result in a radiation dose in excess of 20 mSv. All of the other fuel route areas were addressed on the basis that, even if all of the active engineered and administrative criticality controls were to fail, a criticality accident would still not be reasonably expected, i.e. the predicted frequencies of all such excursions are acceptably low. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Application of Constellation's best estimate alternate source term methodology

Safety analyses for a nuclear power plants need to consider postulated accidents that results in a risk of accidental release of radiation. The regulations require plant specific safety analysis reports to include an evaluation of the requirements of 10CFR50.67. Such a safety analysis report mandates limits such that calculated radiological consequences at certain locations do not exceed established limits in 10CFR50.67 following a postulated release of radioactivity. Analyses should demonstrate, with reasonable assurance, that these prescribed limits are complied with. Conventional methodologies utilize conservative approaches to address lack of uncertainty quantification in the utilized approaches, methods, and/or inputs. These built-in excess conservatisms often result in with compounding effects and hence overly conservative results in the estimated radiological consequences, which leads to inaccurate margin evaluation for operation and accident mitigation. Therefore, evaluating accurate dose consequences is needed for both operational and safety reasons. This paper illustrates the use of the best estimate source term (BEAST) methodology to the case of the loss of coolant accident (LOCA) dose analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Synthesizing, Compounding, and Characterizing a Heat Labile Polyurethane Foam

ABSTRACT A need exists for a packaging foam material that can be converted from solid to gaseous degradation products at reasonably low energy levels or temperatures, such as 100O C. This paper will primarily discuss the approaches currently being used to synthesize and characterize such a material. These approaches include the incorporation of novel polyols such as azo containing diols, polycarbonate diols, and polypropylene carbonate polyols into polyurethane foams. Characterization methods include NMR, FTIR, TGA, finite element analysis, impact strength, and others. This project will be funded for a duration of three years. Year 1 focused on developing the proposed test methods and producing an initial rigid polyurethane foam. Year 2 focuses on refining the materials and test methods. If appropriate, design of experiment (doe) techniques will be used to optimize components, component levels, density and other variables to attain required final material properties (TGA weight loss, impact strength, etc.). Year 3 focuses on scaling up to larger engineering quantities. The application for this material is in load securement for transportation of low level radioactive waste materials within the US Department of Energy (DOE) complex. Foam in place process equipment and operators will be shielded using this novel method over current practice. Current practice can involve time consuming methods of load securement in low level radiation environments. This new technique would eliminate exposure time securing the load and greatly improve the As Low As Reasonably Attainable (ALARA) conditions. The objective is to progress to higher Technical Readiness Levels (TRL) and larger pilot scale quantities. This paper discusses methodologies and presents current results to date.

Kranjc, Mark D.↗

DOE OSTI2024

Comparison of Results between the Legacy and Refined RELAP5-3D Models of the High Temperature Test Facility in Exercises 1 and 2 of the HTTF Benchmark

Work conducted in FY23 identified that RELAP5-3D was capable of reproducing trends in HTTF data during experiment PG-27 but was incapable of reproducing measured values. The primary cause of this discrepancy between RELAP5-3D results and experimental data was hypothesized to be a distortion in power density that was introduced by the radial nodalization of the model. We further hypothesized that a new model would provide better results when compared to the experiments PG-27 and PG-29. Work this FY developed a new model that is better capable of capturing local heat generation rates and contains a representation of each 1/6 azimuthal sector of the core. We used this model to develop a new set of solutions to Exercises 1 and 2 of Problems 2 and 3 in the benchmark. In this report, we present the first comprehensive comparison of the results between the two models. We see that in Exercise 1A, which is common between problems 2 and 3, the results are similar, though the results from the new model show greater detail than those from the legacy model. In Problem 2 Exercise 1B and Problem 3 Exercise 1B, we see that heat removal is slower in the new model than the legacy model. Problem 3 Exercise 1C shows temperatures that are lower in most places in the new model than the legacy model, but the area with active heat generation has higher block temperatures in the new model than the legacy model. Problem 3 Exercise 1D further shows that long-term heat removal is lower in the new model. Problem 2 Exercise 1C demonstrated that the new model observes higher temperatures in the core regions than the legacy model, justifying the need to preserve the power density in HTTF. The validation of PG-27 and PG-29 also demonstrated the improved temperature agreement in the core regions, particularly with a calibrated model that implements an effective thermal conductivity for the core material. Overall, PG-27 models show reasonable to excellent agreement for steady-state temperatures and minimal to reasonable agreement for transients. PG-29 models showed minimal to insufficient agreement with the data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

CHEMREASONER: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback

The discovery of new catalysts is essential for the design of new and more efficient chemical processes in order to transition to a sustainable future. We introduce an AI-guided computational screening framework unifying linguistic reasoning with quantum-chemistry based feedback from 3D atomistic representations. Our approach formulates catalyst discovery as an uncertain environment where an agent actively searches for highly effective catalysts via the iterative combination of large language model (LLM)-derived hypotheses and atomistic graph neural network (GNN)-derived feedback. Identified catalysts in intermediate search steps undergo structural evaluation based on spatial orientation, reaction pathways, and stability. Scoring functions based on adsorption energies and barriers steer the exploration in the LLM's knowledge space toward energetically favorable, high-efficiency catalysts. We introduce planning methods that automatically guide the exploration without human input, providing competitive performance against expert-enumerated chemical descriptor-based implementations. By integrating language-guided reasoning with computational chemistry feedback, our work pioneers AI-accelerated, trustworthy catalyst discovery.

artificial intelligence↗

DOE OSTI2024

Photo- and Electro-Induced Hadron Production from Nuclei at Jefferson Laboratory

Understanding many-body knockout processes is crucial for nuclear physics, particularly in photo- and electro-induced reactions. In turn, understanding two- and three-body forces, including higher-order forces, is vital for a complete understanding of atoms. We present photo-induced many-proton knockout processes, with multiplicities from 1 to 6, using 12C, CH2, and C4H9OH targets in the g9a FROST dataset. Our analysis covers photon energies from 600 to 4500 MeV, significantly expanding current world data. Comparing our experimental data to the state-of-the-art GiBUU model offers a new challenge in the model’s theoretical description of many-body processes. GiBUU reasonably describes the data at lower photon energies but struggles at higher energies and missing masses, likely due to missing processes, such as initial 3-pion photoproduction. Our results will inform future developments in describing proton knockout processes, indicating GiBUU’s overall reasonable description of many-proton knockout data up to around 2.2 GeV. We also assess various electro-induced reactions using 2D, 12C, and 40Ar targets in the RGM dataset. Our results, obtained at electron beam energies of 2, 4, and 6 GeV, are compared in detail to GENIE and GiBUU, two widely used theory models in neutrino oscillation experiments. Discrepancies between model predictions and experimental data underscore the need for refining the two theoretical models. Despite discrepancies, GiBUU provides a more accurate modelling of electro-induced reactions, especially for 40Ar - crucial for future neutrino oscillation facilities such as DUNE. Understanding the fundamental nuclear physics involved in neutrino-nuclei interactions is essential for reducing the systematic uncertainties in extracting neutrino oscillation parameters. Many-body processes significantly contribute to the background processes observed in neutrino-nuclei interactions, hence the results from both analyses are crucial for developing the theoretical framework for the underlying nuclear physics.

Williams, Rhidian↗

DOE OSTI2025

Demystifying the Resilience of Large Language Models: An End-to-End Perspective

Deep neural networks are known to be resilient to random bit-wise faults in their parameters. However, this resilience has primarily been established through evaluations of classification models. The extent to which this claim holds for large-language models remains underexplored. In this work, we conduct an extensive measurement study on the impact of random bitwise faults in commercial-scale language models. We perform an in-depth analysis of the resulting generation outputs. We first expose that these language models are not truly resilient to random bit-flips. While aggregate metrics such as accuracy may suggest resilience, an in-depth inspection of the generated outputs shows significant degradation in text quality. Our analysis also shows that tasks requiring more complex reasoning suffer more from performance and quality degradation. Moreover, we extend our analysis to models with augmented reasoning capabilities, such as Chain-of-Thought or Mixture of Experts architectures, and characterize their failure scenarios under random bit-flips.

Sun, Yu↗