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DOE OSTI2023

Standardized perioperative management in acute abdominal surgery: Swedish SMASH controlled study

Abstract Background Acute high-risk abdominal surgery is common, as are the attendant risks of organ failure, need for intensive care, mortality, or long hospital stay. This study assessed the implementation of standardized management. Methods A prospective study of all adults undergoing emergency laparotomy over an interval of 42 months (2018–2021) was undertaken; outcomes were compared with those of a retrospective control group. A new standardized clinical protocol was activated for all patients including: prompt bedside physical assessment by the surgeon and anaesthetist, interprofessional communication regarding location of resuscitation, elimination of unnecessary factors that might delay surgery, improved operating theatre competence, regular epidural, enhanced recovery care, and frequent early warning scores. The primary endpoint was 30-day mortality. Secondary endpoints were duration of hospital stay, need for intensive care, and surgical complications. Results A total of 1344 patients were included, 663 in the control group and 681 in the intervention group. The use of antibiotics increased (81.4 versus 94.7 per cent), and the time from the decision to operate to the start of surgery was reduced (3.80 versus 3.22 h) with use of the new protocol. Fewer anastomoses were performed (22.5 versus 16.8 per cent). The 30-day mortality rate was 14.5 per cent in the historical control group and 10.7 per cent in the intervention group (P = 0.045). The mean duration of hospital (11.9 versus 10.2 days; P = 0.007) and ICU (5.40 versus 3.12 days; P = 0.007) stays was also reduced. The rate of serious surgical complications (grade IIIb–V) was lower (37.6 versus 27.3 per cent; P = <0.001). Conclusion Standardized management protocols improved outcomes after emergency laparotomy.

Timan, Terje J.↗

DOE OSTI2022

The False Dilemma: Rethinking AF Science and Technology Officer Talent Management

In 2019, Secretary of the Air Force (SECAF) Heather Wilson launched the 2030 Science and Technology (S&T) Strategy by stating, “The advantage will go to those who create the best technologies and who integrate and field them in creative operational ways that provide military advantages.” In 2021, 15% of Air Force general officers responsible for creating and integrating this technological edge had a science, technology, engineering, and math (STEM) graduate degree, and less than 1% of generals had a STEM doctorate. As one point of comparison, at least 32% and 13% of founding CEOs of Fortune 500 technology companies had a master’s and doctoral STEM degree, respectively. The gulf is larger when you consider that these CEOs used their technical degrees throughout their careers whereas most general officers do not. In large organizations, if the leader does not possess technical knowledge, it is difficult to drive innovation systems and connect ideas to reality. The evidence for this disconnect is abundant in acquisition challenges for high-tech systems, significant pushback to the “revolution in military affairs”, and failure of the “Third Offset” to take hold and deliver capabilities to offset Chinese and Russian capabilities. Indeed, when the former Air Force and Space Force Chief Software Officer, Nicolas M. Chaillan, offered his resignation, one of the main reasons for leaving was “the failure of OSD and the Joint Staff to deliver on their own alleged top ‘priority’, JADC2 – they couldn’t ‘walk the walk.’” Senior leaders have recognized this disconnect, and several inquiries and studies regarding STEM competency have been conducted. Many have posed a false dilemma: a large, STEM-cognizant or small, STEM-expert force. However, current and future STEM human capital needs are managed at the unit and functional area level. This leads to “silos” and the tactical “needs of the present” dominating the strategic “needs of the future”, highlighted by only two functional areas systematically tracking future STEM needs. Therefore, the decision on force structure appears to have been historically made by default through these and other perceived structural realities, and a vast majority of recommendations have focused on the small STEM community – an exercise in diminishing returns. In essence, the solution often boils down to finding unicorns – officers that have chartered the unforgiving pathway through the traditional “gates” to general officer while obtaining sufficient STEM proficiency along the way. Fortunately for the Air Force, these officers exist, albeit at a rate below what the evidence would suggest is necessary. However, this approach fundamentally limits the ability to develop a deep pool of officers with the ability to create and integrate technologies and ensures the Dunning-Kruger effect is prevalent. The Dunning-Kruger effect is a cognitive bias where those with limited knowledge in an area lack the expertise necessary to recognize their lack of expertise and consequently are prone to overestimate their knowledge and performance. In short, we need less leaders overestimating their STEM knowledge and more with hard-earned STEM competency required to “walk the walk” to create and integrate technologies for military advantage. This will not be accomplished by restricting the emphasis to the traditional scientists and engineering (S&E) career fields – the pool, only 10% of line officers, and general officer progression is just too small. Fortunately, the recent SECAF’s Management Initiatives and Chief of Staff’s (CSAF) Action Orders, both containing emphasis on organic expertise to “accrue advantage in military-technological competition,” present an opportunity to truly develop a framework for the force of the future.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2026

Modeling Marangoni Convection using a Velocity-Time Relationship

The Waste Treatment and Immobilization Plant (WTP) at the U.S. Department of Energy’s (DOE’s) Handford site is designed to treat 56 million gallons of radioactive waste through vitrification. The melting vessels physical and chemical integrity is essential to maintain, as failure has a high safety and financial penalty. Monofrax® K-3 refractory, the material widely used for the melting vessel, undergoes significant corrosion over time, concentrated at the triple-point junction between the gaseous atmosphere, refractory, and glass melt, producing a characteristic neck-like profile that significantly limits refractory service life. Accurate prediction of the corrosion within the melter can be used to prevent this and extend the lifetime of the melters. A computational fluid dynamics (CFD) model was previously developed, and predicted subsurface refractory corrosion, but failed to predict the neck-line profile observed experimentally. To address this limitation, the glass-melt meniscus geometry at the glass-refractory interface was estimated from experimentally measured neck profiles and wettability experiments. A curve was fitted to the neck profile to identify the triple point location, and the meniscus shape was characterized by a contact angle of 1°. A velocity profile accounting for Marangoni convection-driven corrosion was derived from the estimated meniscus geometry. Surface tension measurements from LORPM14R1 glasses of varying composition were coupled with K-3 coupon dissolution rates to establish a surface tension–time relationship. This analytical velocity-time model was integrated into the existing CFD framework to improve prediction of the neck corrosion profile. Work was done in a computational setting with national collaboration, resulting in professional development through presentational and technical writing growth.

36 - MATERIALS SCIENCE↗

DOE OSTI2020

First Examination of Irradiated Fuel with Pulsed Neutrons at LANSCE (Preliminary Results)

We present preliminary results on the characterization of an irradiated U-lOZr-lPd fuel sample that was prepared from the irradiated AFC-3A-R5A sample. U-lOZr metallic fuels are researched as host materials for potential transmutation fuels and the addition of palladium strives to bind lanthanides, thus preventing fuel-cladding chemical interactions (FCCI). These interactions limit the lifetime of metallic fuels and are caused by migration of lanthanide fission products to the periphery of the fuel slug, where they start to interact with the D9 or HT9 steel cladding, ultimately leading to failure of the mechanical integrity of the cladding. Neutrons offer bulk characterization of irradiated materials for which X-ray tomography methods are not suitable due to the immense gamma background emitted from the samples. In particular pulsed neutrons provide information from the ability to resolve the neutron energy using their time-of-flight and thus the potential to utilize neutron absorption resonance to characterize the spatial distribution of isotopes. This, in turn, may allow to characterize the distribution of fission and neutron capture products non-destructively and may ultimately be applied to the bulk of an irradiation capsule prior to destructive post-irradiation examination to identify regions of interest. To allow the characterization of entire irradiation capsules, a cask is under development in the advanced post-irradiation work package at LANL and progress on this development was reported elsewhere. In parallel, an irradiated U-lOZr-lPd sample cut from the AFC-3AR5A irradiation was shipped to LANL and will be fully characterized with an NSUF funded rapid turnaround experiment (RTE) in the 2020 LANSCE run cycle. The sample emits at a dose rate of ~3R/hr on contact and is therefore manageable with remote handling, without requiring a cask. The disk-shaped material is larger than samples prepared for analysis using electron or X-ray methods and is therefore an intermediate step towards characterization of bulk samples at LANSCE. However, since it covers the full diameter of the irradiated fuel slug, some insight on redistribution of elements, spatially resolved information on microstructure, e.g. phase composition and texture, will be possible using the pulsed neutron-based methods developed for fuel characterization at LANSCE. This report describes the development of procedures to handle the sample at LANSCE as well as preliminary data and results from tests conducted in December 2019 on the energy-resolved neutron imaging (ERNI) beam line at flight path 5 and the high pressure-preferred orientation diffractometer (HIPPO) at LANSCE. This effort is a collaboration between LANL, INL, and ORNL. To compare our capabilities with prior work, we present an overview of previously reported bulk characterization of irradiated or spent fuels. The overview addresses neutron diffraction and neutron absorption resonance spectroscopy, both of which have only few reported applications on irradiated or spent nuclear fuel, as well as neutron radiography. This literature review was already described in a previous report but is repeated here to put our current efforts in context of previous work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Arctic Coastal Erosion: Modeling and Experimentation

Increasing Arctic coastal erosion rates have put critical infrastructure and native communities at risk while also mobilizing ancient organic carbon into modern carbon cycles. Although the Arctic comprises one-third of the global coastline and has some of the fastest eroding coasts, current tools for quantifying permafrost erosion are unable to explain the episodic, storm-driven erosion events. Our approach, mechanistically coupling oceanographic predictions with a terrestrial model to capture the thermo-mechanical dynamics of erosion, enables this much needed treatment of transient erosion events. The Arctic Coastal Erosion Model consists of oceanographic and atmospheric boundary conditions that force a coastal terrestrial permafrost environment in Albany (a multi-physics based finite element model). An oceanographic modeling suite (consisting of WAVEWATCH III, Delft3D-FLOW, and Delft3D-WAVE) produced time-dependent surge and run-up boundary conditions for the terrestrial model. In the terrestrial model, a coupling framework unites the mechanical and thermal aspects of erosion. 3D stress/strain fields develop in response to a plasticity model of the permafrost that is controlled by the frozen water content determined by modeling 3D heat conduction and solid-liquid phase change. This modeling approach enables failure from any allowable deformation (block failure, slumping, etc.). Extensive experimental work has underpinned the ACE Model development including field campaigns to measure in situ ocean and erosion processes, strength properties derived from thermally driven geomechanical experiments, as well as extensive physical composition and geochemical analyses. Combined, this work offers the most comprehensive and physically grounded treatment of Arctic coastal erosion available in the literature. The ACE model and experimental results can be used to inform scientific understanding of coastal erosion processes, contribute to estimates of geochemical and sediment land-to-ocean fluxes, and facilitate infrastructure susceptibility assessments.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Integration of Control Methods and Digital Twins for Advanced Nuclear Reactors

Advanced nuclear reactors offer a new set of features to energy generation, due to their ability to adapt to variable energy demand, operate autonomously, be deployed in rural locations and monitored remotely, afford compact size and lower power ratings, and rely on novel technologies to achieve safer operations. Thus, a requirement for the success of these reactors is the use of intelligent forms of control to track changing power demands, make autonomous decisions, and reduce the need for human involvement. Regulatory requirements pertaining to control of nuclear reactors could be met via historical means of control; however, these are not expected to enable the level of highly autonomous operations desired in advanced nuclear reactors. Historical control methods rely on both logical and high-performance (HP) control. These two types of control are usually used separately, with a human element being introduced whenever decisions are cascaded from one science to another. AI/ML control, on the other hand, can replace the human element in the current U.S. fleet of nuclear power plants (NPPs) by acting as a supervisory optimizer that understands the plant internal/external variables in order to make control decisions, and can easily handle non-linear and multi-input/multi out (MIMO) decisions—another requirement for advanced nuclear reactors that could be difficult to handle via logical and HP control. Because of the harsh operating environments produced in advanced reactors, resulting in the frequent failure of sensors and other types of equipment, and considering the lack of operating history for advanced nuclear reactors, control of advanced nuclear reactors would necessitate relying on a model that can track and adapt to the actual process (i.e., a digital twin). This digital twin can make approximations when knowledge and data are unavailable and would evolve as more knowledge is gained. The reactor control must also be risk-informed to account for the high-consequence nature of advanced reactors. This report introduces a high-level (i.e., not method- or process-specific) integration of the three different control and digital twinning methods able to meet the requirements for advanced nuclear reactors. These methods could be applied during both the operational and design stages of these reactors. The aim is to demonstrate how each method interfaces with and highlights enabling solutions necessitated by the unique features of advanced nuclear reactors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Assessing high fidelity multi-component models to facilitate safeguards at Gas Centrifuge Enrichment Plants

We report that the International Atomic Energy Agency (IAEA) inspectors routinely carry out environmental sampling (ES) as a verification method. Collection of environmental swipe samples at various locations in Gas Centrifuge Enrichment Facilities (GCEPs) is an important process in detecting misuse of a declared facility and possibly the existence of undeclared nuclear material. These samples are measured for isotopic composition in uranium containing particles by Thermal Ionization Mass Spectrometry (TIMS) or Inductively Coupled Plasma Mass Spectrometry (ICP-MS). Even though ES is highly effective in detecting the absolute value of enrichments and their deviations from the declared values, it cannot explain the cause of those changes. Several potential explanations can serve as possibilities for particles detected above or other than the declared enrichment. These include normal and non-malicious events such as the design of the enrichment cascades, unintentional failures of the machines, or overshoot during startup of a cascade. It can also be the result of deliberate misuse by the facility operators. The primary objective of this work is to understand how these factors affect the enrichments produced by a cascade and quantify anticipated multi-isotopic concentrations for each case. The following methodology is employed to determine signatures at a particular facility. 1) Utilize a new two-dimensional multi-component diffusion code to obtain centrifuge performance data and use that information to design and perform cascade analysis. Compare and contrast the results with previous 1-D radially averaged solutions from the Pancake code. 2) Design a GCEP cascade with the production goal of 19.75% 235 U for each set of machine data above. Investigate two cascade scenarios that include enrichment of natural uranium (NU) feed to 19.75% 235U in a single cascade compared to a two-step process of NU to 5% and then 5% to 19.75%. 3) Simulate the intentional vs. unintentional off-normal scenarios in the cascades to assess the differences in isotopic concentrations. A non-ideal squared-off cascade model developed at the University of Virginia is used to calculate flow rates and isotopic concentrations of the process gas. The analysis is performed using the Rome machine model operated at 600 m/s rotor speed. The upper and lower bounds of normal and abnormal enrichments in a typical facility are used in conjunction with ES results to understand the root causes of such observations.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2020

Microstructure and Mechanical Properties of Intercritically Treated Grade 91 Steel

Premature creep failures at the intercritical heat affected zone (ICHAZ) of creep-resistant steel weldments have been frequently reported. However, the creep degradation mechanism of different microstructure constituents in ICHAZ is complicated and needs further clarification. In this work, Grade 91 steel was intercritically heat-treated at a temperature (860 °C) between the critical temperatures AC1 and AC3, and a correlation between microstructure and mechanical properties of the heat-treated specimen was built. The effects of austenitization and tempering resulting from the intercritical treatment (IT) differentiated the local strain energies between the two microstructure constituents: newly transformed martensite (NTM) and over-tempered martensite (OTM). The formation of NTM grains led to a hardness increase from 247 HV0.5 in the base metal to 332 HV0.5 in the IT specimen. The ultimate tensile strength (UTS) increased from 739 MPa in the base metal to 1054 MPa in the IT specimen. Extensive growth of the OTM grains and rapid recovery of NTM grains took place simultaneously in the IT specimen during a typical tempering at 760 °C. These microstructure degradations led to a lowered hardness of 178 HV0.5, a reduced UTS of 596 MPa, and a poor creep resistance with a minimum creep strain rate of 0.49 %/h at 650 °C in an IT + tempering (ITT) specimen.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Computational Modeling of Graphite Degradation due to Molten Salt Infiltration and Wear

Molten-salt reactors (MSRs) represent a promising next-generation reactor design, with graphite serving as a moderator and/or reflector in several designs. However, due to limited experimental data and operational experience, a technical understanding of the structural integrity of graphite in molten salt environments remains incomplete. This report presents a modeling-based evaluation of graphite degradation in MSR environments, focusing on the effects of salt infiltration in fuel salt-based designs and surface wear in pebble bed reactor designs. The objective of this study is to enhance understanding of the structural integrity challenges posed by these degradation mechanisms and to provide a framework for assessing graphite behavior in MSRs. The first part of the report investigates the phenomenon of molten salt infiltration into graphite. This infiltration occurs when molten salt permeates the interconnected pore structure of the graphite moderator, driven by factors such as pressure differentials and the physical properties of both the salt and graphite. The infiltration process is influenced by characteristics of the pore structure, viscosity of the molten salt, and the interfacial energies between the graphite, salt, and the atmosphere within the graphite pore. Utilizing a coupled multiphysics modeling approach with Grizzly software, the study evaluates the stress induced by internal heat sources due to infiltration, which can lead to structural concerns. This evaluation is crucial for understanding how infiltration affects the mechanical integrity of graphite components in MSRs. The study considers the Molten-Salt Reactor Experiment (MSRE) graphite stringer geometry due to the availability of relevant data. Through detailed finite element analysis, the study examines stress distributions at varying infiltration percentages, revealing that stress levels increase with higher amounts of infiltration. Rare-event simulations, using the parallel subset simulation (PSS) framework, further quantify the failure probabilities under input uncertainties, with a user-specified failure metric. The PSS framework also identifies critical input parameters that significantly affect the stress values, including infiltration amount, thermal conductivity, and power density. Additionally, considering realistic reactor scenarios, the analysis was performed to account for the combined effects of radiation and infiltration, and modeling strategies on how to analyze new reactor designs or new graphite grades are discussed. The second part of the report focuses on wear mechanisms in pebble bed-based MSRs. As graphite fuel pebbles interact with the graphite reflector block, wear can result in material loss and the formation of surface defects, which may act as stress concentrators. A similar multiphysics modeling framework is employed to assess the impact of wear on the structural integrity of graphite components. This study considers a generic fluoride-cooled high-temperature reactor (gFHR) design due to the availability of comprehensive data. Worst-case scenario dimensions of the reflector blocks were analyzed under thermal and radiation conditions. Subsequently, wear in the form of idealized pits and grooves is modeled on the inner surface of the graphite block, with the maximum stress from previous simulations. The simulations show that groove-type defects are more detrimental than pits, leading to higher stress concentrations. Considering worst-case simulation scenarios and experimental wear rates, it was determined that the formation of a surface defect critical enough to affect the stress may not be possible in a gFHR design. Overall, the findings of this research contribute to the development of robust modeling tools for predicting graphite behavior under various operational conditions in MSRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

A transport-based framework for solidification cracking in Ni-based superalloys processed by laser powder bed fusion

Solidification cracking remains a persistent barrier to laser powder bed fusion (LPBF) processing of solid-solution-strengthened (SSS) Ni-based superalloys and is commonly attributed to carbide formation, liquation-type failure, or elemental segregation. In this work, the cracking behavior of three SSS Ni-based superalloys—Inconel 625 (625), Inconel 617 (617), and Haynes 230 (230)—is examined under comparable LPBF conditions to evaluate the origins of their cracking susceptibility. Carbides were present in both 625 and 230, yet cracking behavior differed significantly. MC-type carbides in 625 remain discrete and preserve liquid connectivity, whereas Cr-rich M23C6 carbides in 230 form at cellular triple junctions that bottleneck the interdendritic liquid network, influencing cracking through liquid connectivity rather than as an independent cause. Alloy 617 exhibited anomalous segregation without resolvable secondary phases yet cracked mildly, indicating that extensive carbide formation is not a prerequisite for cracking. To rationalize these observations, a transport-limited framework is proposed in which cracking occurs when terminal-liquid feeding cannot accommodate solidification-induced strain; among the mechanisms evaluated, this framework is most consistent with the physical constraints imposed by LPBF solidification. Transport-based crack-susceptibility indexes incorporating permeability, viscosity, and solidification kinetics distinguish the alloy hierarchy; permeability ratios Krat increased from approximately 7 (625) to 11.5 (617) and 14.5 (230), with corresponding increases in the μ-weighted mushy zone risk index (CSIMZRM). These results are consistent with transport-limited liquid feeding as a rate-limiting contributor to solidification cracking in LPBF-processed SSS Ni-based superalloys, providing a physically grounded basis for alloy and process design.

Hyer, Holden [ORNL] (ORCID:0000000343915561)↗

DOE OSTI2024

Determining the Crosslinking and Degradation Reaction Kinetics in Photovoltaic Encapsulants Using Accelerated Aging: Preprint

Degradation of photovoltaic (PV) module encapsulant mechanical characteristics that lead to embrittlement and delamination remains a cause of failure in solar installations. A multiscale reliability model based on detailed molecular degradation reaction kinetics was previously published, connecting the encapsulant mechanical properties (elastic modulus, yield strength, and adhesion energy) to the degraded molecular structure and interfacial bond density to adjacent solar cell and glass substrates. The model, developed primarily for poly(ethylene-co-vinyl acetate) (EVA) encapsulants, remains to be experimentally validated. Determining the degradation and crosslinking kinetics of alternative encapsulants, such as polyolefin elastomer (POE) and EVA/POE/EVA composites (EPE), can further generalize the model. Importantly, the activation energy for crosslinking of fully cured PV encapsulant products from temperature or UV is presently unknown or unavailable. In this work, we subject EVA, POE, and EPE encapsulants to a set of accelerated aging conditions, varying the temperature, UV intensity, and relative humidity. We use DSC, FTIR, and Soxhlet extraction (gel content) to characterize the encapsulants' changing molecular structure. This allows for determination of the photochemical degradation and crosslinking kinetics of the encapsulants. Preliminary results show an increase in gel content (crosslinking) and a decrease in crystallinity of EVA, POE, and EPE encapsulants under hot-aerobic (90 deg C, 22% RH) and hot-anaerobic (90oC, sealed in N2 air) accelerated aging, even in the absence of UV and crosslinking initiating agents. For a least squares regression with an assumed first-order crosslinking kinetics, the crosslinking rate parameters were computed for the three encapsulants under hot-aerobic and hot-anaerobic aging conditions. FTIR analysis showed insignificant encapsulant degradation for hot-aerobic and hot-anaerobic aging, demonstrating the critical role of UV and moisture in accelerating degradation. Aging conditions with UV exposure and elevated humidity are presently in progress.

adhesion↗

DOE OSTI2021

Performance of Compact Pulsed Thermal Imaging System for In-Service Applications. Pulsed thermal tomography nondestructive examination of additively manufactured reactor materials and components

Additive manufacturing (AM) is an emerging method for cost-efficient fabrication of complex topology nuclear reactor parts from high-strength corrosion resistance alloys, such as stainless steel and Inconel. AM of metallic structures for nuclear energy applications is currently based on laser powder bed fusion (LPBF) process, which has the capability of melting metallic powder and net shaping the structures with relatively high precision. Some of the challenges with using LPBF method for nuclear manufacturing include the possibility of introducing pores into metallic structures. Integrity of AM structures needs to be evaluated nondestructively because material flaws could lead to premature failures due to creep in high temperature nuclear reactor environment. Currently, there exist limited capabilities to evaluate actual AM structures nondestructively. Pulsed Thermography (PT) imaging provides a capability for non-destructive evaluation (NDE) of sub-surface defects in arbitrary size structures. The PT method is based on recording material surface temperature transients with infrared (IR) camera following thermal pulse delivered on material surface with flash light. The PT method has advantages for NDE of actual AM structures because the method involves one-sided non-contact measurements and fast processing of large sample areas captured in one image. The data cube of PT measurements consists of surface temperature taken at sequential time intervals T(x,y,t). Material defects can be detected either by analyzing the thermograms T(x,y,t) data cube, or by using thermal tomography (TT) algorithm to obtain 3D spatial reconstruction of thermal effusivity e(x,y,z). To reduce the cost and enable in-service NDE in spatially constrained environment, it is highly desirable to develop PT with compact and inexpensive IR camera. Following initial qualification of an AM component for deployment in a nuclear reactor, a compact PT system can also be used for in-service nondestructive evaluation (NDE) applications. However, data cube obtained with PT based on compact IR camera suffers from strong thermal noises and loss of features due to relatively low sampling rate. In this report we describe two unsupervised machine learning (ML) algorithms for enhancement of PT images obtained with compact IR camera. In one approach, we introduce Sparse Coding Discrete Cosine Transform (SC/DCT) algorithm to remove additive white Gaussian noise (AWGN) from spatial thermal effusivity reconstructions. In another approach we introduce a Spatial Temporal Denoised Thermal Source Separation (STDTSS) ML algorithm to process thermograms. The STDTSS algorithm consists of spatial and temporal denoising using Gaussian and Savitzky–Golay filtering, followed by the matrix decomposition using Principal Component Analysis (PCA), and Independent Component Analysis (ICA) to automatically detect flaws. In the work described in this report, we constructed a compact PT system using a relatively small and low-cost FLIR A65 camera, consisting on uncooled microbolometer detector. Performance of SC/DCT algorithm was demonstrated on enhancing TT images of Inconel 718 AM plate. Performance of the STDTSS methods was investigated using thermography data obtained from imaging stainless steel 316L specimens produced with LPBF method with imprinted calibrated porosity defects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Adhesion Capabilities of Permanent Foaming Fixatives

DOE-EM have identified an operational requirement for a fixative that can immobilize and/or encapsulate residual contamination in 3D void volumes (pipes, gloveboxes, waste containers, etc.) during D and D activities. Failure to safely and effectively immobilize residual contamination can: Put workers at risk; Contaminate the public and environment; Drive up costs. Commercial-off-the-shelf (COTS) polyurethane (PU) foams is one possible solution and is currently being investigated by Savannah River National Lab (SRNL). Adhesion testing will dictate how well PU foams will adhere and immobilize residual contamination onto a substrate. Results can provide a performance criteria for Section 5 of ASTM E3191: Standard Specification for Permanent Foaming Fixatives Used to Mitigate Spread of Radioactive Contamination. Initial mechanical testing showed intumescent rigid PU foams were best in class (tensile, compression, TGA/DSC) Application of intumescent rigid PU foam in pipe scenario with 'contamination' showed excellent adhesion capabilities as long as foam had contact with pipe. The foam, however, was not able to penetrate 'contamination' but created pockets where the contamination interacted with the substrate. Pretreatment options of pipe were considered to produce better immobilization capabilities. Pretreatment options included COTS products like baking spray, rubber cement, and soap. Foam was still able to immobilize on a global sense, but not a local sense. Essentially acted as a mechanical plug. A tensile tester (MTS Criterion Series 43) was utilized to evaluate the tensile adhesion strength of 6 COTS PU foams. ASTM D1623: Tensile and Tensile Adhesion Properties of Rigid Cellular Plastics. Procedures: PU foams were cured between two smooth 2'' x 2'' 304 stainless steel coupons with hinges glued on plates for gripping support. Parameters Used: Pull rate of 0.1 in/min. Calculations: Tensile adhesion strength, elongation, and ImageJ analysis of how PU foam is left on substrate. Outcome: The PU foam with the best adhesion capabilities would be downselected for further evaluation to be used as a permanent foaming fixative. The rigid PU foams had the best adhesion capabilities with the R1 foam having a max load of 236 N. One of the I-R2 samples reached almost 450 N and another sample reached 2500 N before slipping. The other intumescent foam, I-F4, had the most coverage on the stainless steel coupon's surface from the ImageJ results (61.43% surface coverage). The intumescent foam, I-R2, will be the foam of choice for future testing due its fire retardant and adhesion capabilities. Future directions: Conduct the following experiment in a pipe scenario with the down-selected PU foam. Procedures: PU foam will be cured between in a 304 stainless steel pipe (ID: 4'', OD: 4.5'', Height: 4''). Parameters Used: Compression testing results will be referenced to determine if foam's adhesion strength would be greater its compression strength as its being compressed. Calculations: Compression strength, shear stress, total time elapsed. Conduct further adhesion testing with the down-selected PU foam (I-R2) to be treated as a permanent foaming fixative (PFF). Determine the minimum contact the PFF should have with the substrate for adequate results. Evaluate if PFF's adhesion capabilities is time dependent (3.1.5 of ASTM E3911). Subject PFF to seismic stressors addressed in Safety Basis of Interim Operation documents (SBIO) to further evaluate adhesion capabilities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Trends in spatial correlations, two-phase coexistence, and criticality in a class of type-2 Schloegl models for autocatalysis

A class of type-2 Schloegl models is considered for particles on a square lattice with variable-range cooperativity. These models involve: (i) spontaneous particle annihilation at rate p; (ii) autocatalytic particle creation at unoccupied sites (i, j) with n ⩾ 2 particles within a specified neighborhood, Ω 𝑁 (i, j), of sites at rate $k_n$ = $\frac{^{(^n_2)}}{_{(^N_2)}}$ = $\frac{n{(n-1)}}{_{N(N-1)}}$; and (iii) possible spontaneous particle creation at unoccupied sites at “small” rate ɛ ⩾ 0. In some cases, Ω 𝑁 just includes all symmetry-equivalent sites at a single specific distance 𝑑 (in units of lattice constants) from the unoccupied site, e.g., 𝑑 = 1 (nearest-neighbor sites) where 𝑁 = 4, or 𝑑 = √5 (or √13 or…) where 𝑁 = 8. In other cases, Ω 𝑁 includes sites multiple distances from the unoccupied site, e.g., 𝑑 = {1,√2}, where 𝑁 = 8. Kinetic Monte Carlo (KMC) simulation reveals that these models exhibit a nonequilibrium discontinuous phase transition between high- and low-density states below a critical point, ɛ < ɛ c , with generic two-phase coexistence (2PC) at least for smaller 𝑁. With some exceptions, there is an approach toward mean-field behavior with increasing 𝑁 (so the regime of generic 2PC shrinks, and ɛ c approaches the mean-field value of 1/27). Additional insight into trends is provided by analysis of the exact master equations for the models via hierarchical truncation. These truncations utilize suitably tailored pair approximations which reflect the dominant nonequilibrium spatial correlations. These correlations in turn are shown to reflect the details of the autocatalytic particle creation process. For spatially heterogeneous states, the truncations produce coupled sets of lattice differential equations (LDE) which can describe orientation-dependent propagation of an interface between high- and low-density steady states for ɛ < ɛ c . Pair approximation values of 𝑝 = 𝑝 eq where the interface is stationary, and its orientation-dependence, are in semiquantitative agreement with KMC results. In conclusion, this comparison accounts for propagation failure in the LDE which complicates interpretation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Evidence of non-isentropic release from high residual temperatures in shocked metals measured with ultrafast x-ray diffraction

Shock experiments are widely used to understand the mechanical and electronic properties of matter under extreme conditions. However, after shock loading to a Hugoniot state, a clear description of the post-shock thermal state and its impacts on materials is still lacking. We used diffraction patterns from 100-fs x-ray pulses to investigate the temperature evolution of laser-shocked Al–Zr metal film composites at time delays ranging from 5 to 75 ns driven by a 120-ps short-pulse laser. We found significant heating of both Al and Zr after shock release, which can be attributed to heat generated by inelastic deformation. A conventional hydrodynamic model that employs (i) typical descriptions of Al and Zr mechanical strength and (ii) elevated strength responses (which might be attributed to an unknown strain rate dependence) did not fully account for the measured temperature increase, which suggests that other strength-related mechanisms (such as fine-scale void growth) could play an important role in thermal responses under shock wave loading/unloading cycles. Our results suggest that a significant portion of the total shock energy delivered by lasers becomes heat due to defect-facilitated plastic work, leaving less converted to kinetic energy. This heating effect may be common in laser-shocked experiments but has not been well acknowledged. High post-shock temperatures may induce phase transformation of materials during shock release. Another implication for the study is the preservability of magnetic records from planetary surfaces that have a shock history from frequent impact events.

42 ENGINEERING↗

DOE OSTI2023

Characterization of Orography-Influenced Riming and Secondary Ice Production and Their Effects on Precipitation Rates Using Radar Polarimetry and Doppler Spectra (CORSIPP-SAIL)

The Characterization of Orography-Influenced Riming and Secondary Ice Production and Their Effects on Precipitation Rates Using Radar Polarimetry and Doppler Spectra (CORSIPP) project was conducted to help improve the understanding of precipitation formation in orographically influenced terrain. Special focus is put on the two processes of riming and secondary ice production and their external drivers. Two instruments, a polarimetric W-band simultaneous transmission simultaneous reception (STSR) Doppler cloud radar manufactured by Radiometer Physics GmbH (RPG, instrument type RPG-FMCW-94-DP), from now on named LIMRAD94, and the video in situ snowfall sensor (VISSS), were deployed at the U. S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Surface Atmosphere Integrated Field Laboratory (SAIL) site in Gothic, Colorado between November 2022 and June 2023 during the second SAIL winter. Note that the exact dates of data availability differ between the instruments. Both instruments arrived at Gothic on November 2, 2022, 09:20 local time. VISSS, described by Maahn et al., is equipped with two camera systems with telecentric lenses. The two cameras are at a 90° angle to each other. This configuration allows for size-independent measurements by capturing images of hydrometeors from two sides at a high frame rate of 250 Hz. With a minimum detection size of 200 μm, VISSS provides valuable insights into particle size, number, shape, complexity, and fall velocity. The VISSS was deployed on the grassland next to the ARM facility with the amazing help of the ARM employees on site. The setup started on November 2, 2022, and was finished on November 5, 2022, without major problems. VISSS measurements were started on November 6, 2022. LIMRAD94 was installed on a scaffolding platform near Orehouse (Gothic) on November 9, 2022, with the great help of RMBL staff. LIMRAD94 was mounted on a cold temperature scanner prototype. After a short test of the setup on November 9, 2022, the digital control of the scanner elevation stopped working for (at that time) unknown reasons. All attempts to resolve the problem failed. This malfunction made it impossible to operate LIMRAD94 in scanning mode. The scanner was then manually moved to zenith pointing mode and between November 10 and November 15, 2022, vertical observations for polarimetric calibration were performed. On November 15, 2022, after the polarimetric calibration was applied, the scanner was manually moved to 40° elevation with azimuthal view towards the Ka-band ARM Zenith Radar (KAZR) and measurements were continued at constant elevation. Investigation of the scanner malfunction on February 6, 2023, by Benn Schmatz revealed a disengagement between the cogwheel of the elevation motor and the cogwheel moving the scanner in elevation. This mechanical issue was temporarily solved by re-engaging the cogwheels. This made the scanner operational again for about four weeks, until mechanical force disengaged the cogwheels again on March 15, 2023. This repeated scanner failure remained undetected for about three weeks until April 8, 2023; during this time the scanner was stuck at 72° elevation. However, the radar software continued to produce data files falsely indicating that the scanner was still operational. After the scanner failure was noticed, scanning was stopped again, and we returned to constant elevation measurements. On May 15, 2023, the cogwheels of the elevation motor were secured with additional screws sent by the manufacturer. At some point in May, the cogwheels of the azimuth motor were also disengaged by mechanical force, which still allowed for range height indicator (RHI) but no plan position indicator (PPI) scans in the last weeks of the campaign. The azimuth motor was repaired in Germany after the end of the campaign. Throughout the campaign, RMBL and ARM staff kept the radar and the VISSS free of snow.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Blockchain for Fault-Tolerant Grid Operations

Radial topology and vast geographic coverage make distribution systems prone to widespread power outages upon the failure of a single (or multiple) upstream component. Fault-handling algorithms depend heavily on correct estimations of the system’s state to effectively isolate the affected area and reduce the number of affected customers while maintaining operational safety. The work described here leverages the core features of distributed, consensus-based decision-making processes and the immutability of blockchain, and demonstrates their value in improving fault-tolerant grid operations. In this work, blockchain was used to create a trusted data-sharing platform that enables independent actors to reconstruct the system state; this enables distributed resources to make intelligent decisions with limited knowledge. Although the process requires data sharing, its algorithms have been designed to limit the amount of private information that is exchanged, which helps preserve business-sensitive data and maintain customer privacy. In addition, by reducing the information that must be shared, the communication requirements are also reduced; (however, an in-depth analysis of the communication requirements is beyond the scope of this project). The proposed use cases are intended to represent a foundational basis for third parties to develop functional solutions that can eventually be deployed in the field. To further provide guidance, the envisioned use cases have incorporated design requirements that consider the blockchain characteristics and a need to limit information from surrounding resources, which preserve the assumption and the possibility that such resources could belong to different entities. This report presents a detailed design of the three use cases with the tools needed to enable the analysis being tested. The implemented gross error detection method can detect mismatches when the error exceeds 3.8 times the sensor’s rated accuracy. Detection of the circuit breaker state successfully identified the correct states across all simulation tests. A distribution-system power-flow solution in the simulator OpenDSS generally possesses a convergency tolerance of 0.01% on the voltage magnitude. The evaluation of possible reconnection using voltage magnitude—preserving the data ownership—has a voltage magnitude difference smaller than 0.001% from the OpenDSS result. The results preserving data ownership have a difference within the expected power flow tolerance with full knowledge of the system, which surpasses expectations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

A statistical mechanics framework for polymer chain scission, based on the concepts of distorted bond potential and asymptotic matching

To design increasingly tough, resilient, and fatigue-resistant elastomers and hydrogels, the relationship between controllable network parameters at the molecular level (bond type, non-uniform chain length, entanglement density, etc.) to macroscopic quantities that govern damage and failure must be established. Many of the most successful constitutive models for elastomers have been rooted in statistical mechanical treatments of polymer chains. Typically, such constitutive models have used variants of the freely jointed chain model with rigid links. However, since the free energy state of a polymer chain is dominated by enthalpic bond distortion effects as the chain approaches its rupture point, bond extensibility ought to be accounted for if the model is intended to capture chain rupture. To that end, a new bond potential is supplemented to the freely jointed chain model (as derived in the u FJC framework of Buche and Silberstein (2021) and Buche et al. (2022)), which we have extended to yield a tractable, closed-form model of single chain behavior that should be amenable to continuum-level constitutive model development. Inspired by the asymptotically matched u FJC model response in both the low/intermediate chain force and high chain force regimes, a simple, quasi-polynomial bond potential energy function is derived. This bond potential exhibits harmonic behavior near the equilibrium state and anharmonic behavior for large bond stretches tending to a characteristic energy plateau (akin to the Lennard-Jones and Morse bond potentials). Using this bond potential, approximate yet highly-accurate analytical functions for bond stretch and chain force dependent upon chain stretch are established. Then, using this polymer chain model, a stochastic thermal fluctuation-driven chain rupture framework is developed. This framework is based upon a force-modified tilted bond potential that accounts for distortional bond potential energy, allowing for the derivation and subsequent calculation of the dissipated chain scission energy. Here, the cases of rate-dependent and rate-independent scission are accounted for throughout the rupture framework. The impact of Kuhn segment number on chain rupture behavior is also investigated. The model is fit to single chain mechanical response data collected from atomic force microscopy tensile tests for validation and to glean deeper insight into the molecular physics taking place. Due to their analytical nature, this polymer chain model and the associated rupture framework can in the future be implemented in finite element models accounting for fracture and fatigue in polydisperse elastomer networks.

36 MATERIALS SCIENCE↗