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DOE OSTI2021

Constructing angular distributions of neutrinos in core-collapse supernovae from zeroth and first moments calibrated by full Boltzmann neutrino transport

Two-moment neutrino transport methods have been widely used for developing theoretical models of core-collapse supernovae (CCSN), since they substantially reduce the computational burden inherent in the multidimensional neutrino-radiation hydrodynamical simulations. The approximation, however, comes at a price; the detailed structure of angular distribution of neutrinos is sacrificed, that is the main drawback of this approach. In this paper, we develop a novel method by which to construct angular distributions of neutrinos from the zeroth and first angular moments. In our method, the angular distribution is expressed with two quadratic functions of the neutrino angle in a piecewise fashion. We determine the best parameters in the fitting function by comparing to the neutrino data in a spherically symmetric CCSN model with full Boltzmann neutrino transport. We demonstrate the capability of our method by using our recent 2D CCSN model. In this work, we find that the essential features of the angular distributions can be well reconstructed, whereas the angular distributions of incoming neutrinos tend to have large errors that increase with flux factor ($\textit{κ}$). This issue originates from the insensitiveness of incoming neutrinos to $\textit{κ}$, that is an intrinsic limitation in moment methods. Based on the results of the demonstration, we assess the reliability of electron- neutrinos lepton number (ELN)-crossing searches with the two-moment neutrino transport. This analysis is complementary to our [L. Johns and H. Nagakura arXiv:2104.04106] that scrutinizes the limitation of crossing searches with a few moments. We find that the systematic errors of angular distributions for incoming neutrinos lead to misjudgements of the crossing at $\textit{κ}$ ≳ 0.5. This casts doubt on the results of ELN-crossing searches based on two-moment methods in some previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Evaluation of Technetium Getters to Improve the Performance of Cast Stone

Cast Stone has been selected as the preferred waste form for solidification of aqueous secondary liquid effluents from the Hanford Tank Waste Treatment and Immobilization Plant (WTP) process condensates and low-activity waste (LAW) melter off-gas caustic scrubber effluents. Cast Stone is also being evaluated as a supplemental immobilization technology to provide the necessary LAW treatment capacity to complete the Hanford tank waste cleanup mission in a timely and cost effective manner. One of the major radionuclides that Cast Stone has the potential to immobilize is technetium (Tc). The mechanism for immobilization is through the reduction of the highly mobile Tc(VII) species to the less mobile Tc(IV) species by the blast furnace slag (BFS) used in the Cast Stone formulation. Technetium immobilization through this method would be beneficial because Tc is one of the most difficult contaminants to address at the U.S. Department of Energy (DOE) Hanford Site due to its complex chemical behavior in tank waste, limited incorporation in mid- to high-temperature immobilization processes (vitrification, steam reformation, etc.), and high mobility in subsurface environments. In fact, the Tank Closure and Waste Management Environmental Impact Statement for the Hanford Site, Richland, Washington (TC&WM EIS) identifies technetium-99 ( 99 Tc) as one of the radioactive tank waste components contributing the most to the environmental impact associated with the cleanup of the Hanford Site. The TC&WM EIS, along with an earlier supplemental waste-form risk assessment, used a diffusion-limited release model to estimate the release of different contaminants from the WTP process waste forms. In both of these predictive modeling exercises, where effective diffusivities based on grout performance data available at the time, groundwater at the 100-m down-gradient well exceeded the allowable maximum permissible concentrations for 99 Tc. (900 pCi/L). Recent relatively short-term (63 day) leach tests conducted on both LAW and secondary waste Cast Stone monoliths indicated that 99 Tc diffusivities were at or near diffusivities where the groundwater at the 100-m down-gradient well would exceed the allowable maximum permissible 99 Tc concentrations. There is, therefore, a need and an opportunity to improve the retention of Tc in the Cast Stone waste form. One method to improve the performance of the Cast Stone waste form is through the addition of “getters” that selectively sequester Tc inside Cast Stone.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

SU-G-TeP1-09: Modality-Specific Dose Gradient Modeling for Prostate IMRT Using Spherical Distance Maps of PTV and Isodose Contours

Purpose: Overlapping volume histogram (OVH) and distance-to-target histogram (DTH) calculations rely on the assumption that dose gradients are symmetric with respect to primary target volume (PTV) expansion and minimum distance to PTV surface, respectively. It is desirable to lift this assumption and instead account for achievable modality-specific dose gradients (MSDG) for a given PTV shape. Methods: From a library of 96 prostate 7-beam IMRT plans, we computed spherical distance maps (SDMs) for PTVs and 3 iso-dose contours. Each SDM contains the minimum distances between plan isocenter and the object’s surface for a fixed set of azimuthal and polar angles. We performed principal component analysis (PCA)-based missing data recovery with PTV SDM as input and a single iso-dose contour SDM as output. Repeating this process for the set of iso-dose contours sparsely reconstructed the MSDG for a given PTV. DVH points were computed from the MSDG for bladder and rectum (OARs) as a natural way of casting patient-specific geometric information into modality-specific dose space (vs. OVH and DTH where data is purely geometric). For comparison, we implemented a cumulative (c)DTH-based prediction algorithm, and produced DVH for both OARs separately. We then computed linear regressions between each method and the DVH of the original patient plan for three different OAR DVH points. Results: R-squared for MSD-Gcomputed DVH vs. original plan DVH at V90%, V80% and V60% of max dose were 0.86, 0.83, and 0.78, for bladder and 0.36, 0.52, and 0.55 for rectum, respectively; R-squared for cDTH-based predicted DVH vs. original plan DVH were 0.67, 0.81, and 0.83, for bladder and 0.44, 0.50, and 0.51, for rectum, respectively. Conclusion: By simply modeling the MSDG about a given PTV, we are able to reproduce DVHs consistent with a validated cDTH-based DVH prediction. Regression analysis suggests MSDG could further improve predictions.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Dealloying, Microstructure and the Corrosion/Protection of Cast Magnesium Alloys

The purpose of this project was to develop a greater understanding of micro-galvanic corrosion effects in cast magnesium alloys using both experimental and computational methods. Experimental accomplishments have been made in the following areas of interest: characterization, aqueous free-corrosion, atmospheric corrosion, ionic liquid dissolution, rate kinetics of oxide dissolution, and coating investigation. Commercial alloys (AZ91D, AM60, and AZ31B), binary-phase alloys (αMg-2at.%Al, αMg-5at.%Al, and Mg-8at.%Al), and component phases (Mg, Al, β-Mg, β-1%Zn, MnAl3) were obtained and characterized using energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and scanning electron microscopy (SEM). Full immersion in aqueous chloride was used to characterize the corrosion behavior of alloys. Rotating disc electrodes (RDEs) were used to observe accelerated long-term corrosion behavior. Al surface redistribution for freely corroded samples was analyzed using SEM, EDS, and lithium underpotential deposition (Li UPD). Atmospheric corrosion was observed using contact angle evolution, overnight pH monitoring, and surface pH evolution studies. Ionic liquid corrosion characterization was performed using linear sweep voltammetry and potentiostatic dissolution in 150° choline chloride-urea (cc-urea). Two surface coatings were investigated: (1) Li-carbonate and (2) cc-urea. Li-carbonate coatings were characterized using X-ray photoelectron spectroscopy (XPS), SEM, and aqueous free corrosion potential monitoring. Hydrophobic cc-urea coatings were characterized using contact angle measurements and electrochemical impedance spectroscopy. Oxide dissolution rate kinetics were studied using inductively coupled plasma mass spectroscopy (ICP-MS). Computational accomplishments have been made through the development of Kinetic Monte Carlo (KMC) simulations which model time- and composition-dependent effects on the microstructure due to spatial redistribution of alloying elements during corrosion.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Dynamic recrystallization kinetics and microstructure evolution of an AZ91D magnesium alloy during hot compression

Highlights: • DRX kinetic model is developed for the aged AZ91D magnesium alloy. • The DRX behavior in different strained regions was investigated. • Four morphologies of the second phase were proposed during the hot compression tests. • The nucleation mechanisms of the DRX grains were clarified. - Abstract: The flow behavior of as-cast AZ91D magnesium alloy was evaluated by isothermal compression tests within the temperatures of 220 °C, 260 °C, 300 °C, 340 °C, and 380 °C, and the strain rates of 0.001, 0.01, 0.1, 1 and 10s{sup −1}. Based on the stress-strain curve and hyperbolic sine function, the thermal activation energy and the strain rate sensitivity of the material were determined to be 142.2726 kJ·mol{sup −1} and 0.142, respectively. The S type evolution of the dynamic recrystallization with the increasing strain that dynamic recrystallization (DRX) model obtained from stress and strain data. There was a good consistency between the proposed DRX kinetics model and microstructure observation results. Combining isothermal compression specimens with finite element and scanning electron microscopy (SEM) analysis indicated that the sample can be divided into rarely recrystallized region, partially recrystallized region and completely recrystallized region, which falls within the dense deformation zone, free deformation zone and severe deformation zone, respectively. The different forms of the β-Mg{sub 17}Al{sub 12} phase induced by compression tests were confirmed by SEM. Nucleation mechanisms of the DRX were discussed with reference to the transmission electron microscope (TEM) analysis results.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Evolution of Microstructure and Creep Behavior in an Fe-Ni-Cr-Nb-C Alloy during Service in Hydrocarbon Cracker Tubes

Heat resistant, cast austenitic Fe-Ni-Cr-Nb-C alloy tubes are used by the petrochemical industry to transport hydrocarbons at temperatures between 850 and 1050 °C. Exposure to carbon from the process stream and nitrogen from the air causes severe carburization and nitridation in the tube walls, which influences creep resistance and degrades their ductility. A better understanding of these processes would enable their service life to be extended. To this end, we report the results of an experimental and computational study of the changes in microstructure and creep behavior in a representative alloy during service. The microstructure of the fresh material is compared to that of 8- and 10-year-old tubes. The results confirm the presence of M{sub 23}C{sub 6}, M{sub 7}C{sub 3}, and M{sub 2}(CN) phases reported in prior studies, and also reveal the nucleation and growth of the carbo-nitride phase M{sub 6}(CN). We show that the spatial variations of carbide and nitride particle volume fractions in aged tubes can be predicted by a simple reaction–diffusion equation. In addition, the uniaxial compressive creep response of the fresh and aged tubes was obtained as functions of temperature and strain rate. The materials deform by power-law creep, with strain rate versus stress relation as ε-dot =Aσ{sup n}. Aging reduces the stress exponent from n = 8 in fresh tubes to n = 5 in aged tubes, and also reduces the pre-exponential coefficient A. Tests on model alloys with composition identical to that of the matrix combined with finite element simulations of creep in model microstructures reveal that Cr depletion is responsible for the change in stress exponent, while the change in A is caused by the increase in particle volume fraction. By combining the microstructure-scale simulations of creep with the predictions of the reaction–diffusion model of microstructure evolution, the creep behavior of tubes left in service beyond 10 years is estimated.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Optimization of Deep Borehole Systems for HLW Disposal

This is the final report on a project to update and improve the conceptual design of deep boreholes for high level nuclear waste disposal. The effort was concentrated on application to intact US legacy LWR fuel assemblies, but conducted in a way in which straightforward extension to other waste forms, host rock types and countries was preserved. The reference fuel design version consists of a vertical borehole drilled into granitic bedrock, with the uppermost kilometer serving as a caprock zone containing a diverse and redundant series of plugs. There follows a one to two kilometer waste canister emplacement zone having a hole diameter of approximately 40-50 cm. Individual holes are spaced 200-300 m apart to form a repository field. The choice of verticality and the use of a graphite based mud as filler between the waste canisters and the borehole wall liner was strongly influenced by the expectation that retrievability would continue to be emphasized in US and worldwide repository regulatory criteria. An advanced version was scoped out using zinc alloy cast in place to fill void space inside a disposal canister and its encapsulated fuel assembly. This excludes water and greatly improves both crush resistance and thermal conductivity. However the simpler option of using a sand fill was found adequate and is recommended for near-term use. Thermal-hydraulic modeling of the low permeability and porosity host rock and its small (≤ 1%) saline water content showed that vertical convection induced by the waste’s decay heat should not transport nuclides from the emplacement zone up to the biosphere atop the caprock. First order economic analysis indicated that borehole repositories should be cost-competitive with shallower mined repositories. It is concluded that proceeding with plans to drill a demonstration borehole to confirm expectations, and to carry out priority experiments, such as retention and replenishment of in-hole water is in order.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Natural and Engineered Features Supporting Environmental Performance of Idaho National Laboratory's Remote-Handled Low-Level Waste Disposal Facility - 19436

The Idaho National Laboratory's (INL's) Remote-Handled Low-Level Waste (RH LLW) Disposal Facility has been designed and constructed to receive waste generated at the INL site in support of the US DOE Office of Nuclear Energy (NE) and Naval Reactors (NR) missions. The facility has been designed to receive legacy RH LLW currently in storage at INL facilities and new waste generated by nuclear research programs. RH LLW to be received at the facility is solid waste consisting of surface contaminated materials; ion exchange resins used to purify cooling and canal water; and activated metal components generated during reactor core change outs and Naval spent fuel management; and nuclear R and D. Disposal of INL's RH LLW poses unique disposal challenges due to high radiation levels (contact rates up to 600 Sv/hr [60,000 Rem/hr]) that require remote handling and adequate shielding for transportation and disposal. The facility has been designed to meet the requirements of DOE Order 435.1, Radioactive Waste Management, including the all-pathways dose, air pathway dose, inadvertent intruder doses, and radon emissions limits. This paper presents an overview of natural and engineered design features that support the safety case and enhance the environmental performance of the facility. These features include location selection, use of reinforced pre-cast concrete vaults; a robust hydraulic drainage system; use of steel waste canisters for waste disposal; the facility monitoring system; facility layout; and crediting waste forms. The facility performance assessment (PA) developed to meet the requirements of DOE Order 435.1, credits each of these protective features. Releases from waste forms disposed of at this facility are limited by corrosion of the steel waste canisters which will ultimately allow contact with infiltrating water followed by transport of radionuclides from the vault system. The steel waste canisters were credited for their ability to limit water contact with the waste based on the demonstrated ability of the reinforced pre-caste concrete vaults to provide long-term structural protection of the steel waste canisters. Verification of hydraulic and concrete performance was conducted through laboratory data, field infiltration tests supported by a robust monitoring system, and numerical modeling. Releases into the vault system from activated metals are based on site-specific corrosion data. Radionuclide transport from the vault system from all waste forms is based on site-specific climatological, hydrologic, and stratigraphic data. At INL, the groundwater pathway historically and appropriately has received the most attention. By crediting aspects of the natural system, the engineered vault system, and the waste, estimated radiologic doses via the groundwater pathway are minimal. Air pathway doses were reduced by differentially crediting corrosion of aluminum and stainless steel activated metals resulting in the pathway being screened out of the PA. Groundwater and inadvertent intruder doses were reduced through selective facility layout. This paper provides an overview of the system-wide protective features incorporated into the facility design along with an extensive reference list to supporting technical papers and analyses that provide data and interpretation. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Thermal Aging Degradation of Cast Stainless Steels in LWR Systems

Cast austenitic stainless steels (CASSs) have been extensively used for the large components of light water reactor (LWR) power plants such as primary coolant piping and pump casing. Since a large number of massive CASS components are installed in every modern nuclear power plant, any significant degradation of CASS components will raise serious concerns on the integrity of the entire power plant. Upon the presumption that the replacement cost of such massive components is prohibitive, therefore, thorough scientific understanding and systematic monitoring the thermal aging degradation of CASS components should be essential requirements for assessing the plant safety. In the past few decades many researches have concluded that the formation of Cr-rich α-phase by Spinoidal decomposition of δ-ferrite phase, which is formed in high temperature region during cooling, is the primary mechanism for the thermal embrittlement. Cracking mechanism in the thermally-embrittled duplex stainless steels consists of cleavage initiation at ferrite and crack propagation via separation of ferrite-austenite interphase. It has been known, however, that such thermal aging embrittlement is observed only in accelerated aging conditions and the cast stainless steel grades used in nuclear plants have performed well without experiencing real embrittlement. It has been speculated that long-term thermal aging for ≥ 60 years could lead to further decomposition of designed phases and increase of precipitation. This will result in significantly increased susceptibility to embrittlement or other degradation due to thermal aging-radiation synergistic effect, irradiation-induced degradation, stress-corrosion cracking, and general corrosion. Currently, therefore, the thermal embrittlement of CASS components is one of the most serious concerns for extended operation of nuclear power plants. A scientific research is underway to address the issues related to the thermal aging degradation of CASS components. The research aims to provide knowledge-based conclusive prediction for the integrity of the CASS components of LWR power plants during extended operation up to and beyond 60 years. This presentation intends to provide an introductory overview on the thermal aging phenomena in LWR relevant conditions and discussion on the measurements of mechanical property degradation after accelerated and LWR relevant thermal aging treatments. First, the thermal aging effect on toughness is discussed in terms of the causes of embrittlement and influential parameters. Second, the talk will include a comprehensive discussion on the thermal aging effects in different CASS grades (i.e., CF3, CF3M, CF8, and CF8M), which will focus on the influence of alloying elements such as molybdenum and carbon. Third, approximate analysis on thermal reaction in CASS was carried out using Arrhenius equation to decide the effective temperature range for accelerated aging experiments to simulate 60 and 80 years of services in limited time frame. The results will provide valuable insights in the degree of thermal aging. Fourth, calculation on equilibrium precipitation was performed for model CASS alloys using the CALPHAD program, and the results will be used to describe the precipitation behaviors in association with the degradation in mechanical properties. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Digitalization of an experimental electrochemical reactor via the smart manufacturing innovation platform

The exponential increase in data produced over the last two decades has revolutionized the way we collect, store, process, analyze, model, and interpret information to improve profitability. Manufacturing is no exception. How- ever, Smart Manufacturing, the digital practice, organization, workforce, and infrastructure transformation for collection and deployment of data and models at scale and at all levels of manufacturing, is a complex, costly, and labor-intensive journey that is still seeing slow adoption. The Clean Energy Smart Manufacturing Innovation Institute (CESMII), a national Manufacturing USA public-private partnership sponsored by the Department of Energy, is addressing this scaled use of data and modeling in manufacturing. CESMII has focused on how to col- lect and use operating data for numerous applications that improve productivity, precision, and performance of manufacturing operations from factory floor to supply chain using process simulation, predictive analytics, mon- itoring and control, and real-time optimization. Because contextualized data are key, CESMII has developed the Smart Manufacturing Innovation Platform (SMIP) to lower the barriers to the data that are needed to accelerate data-based model building, improve data visualization, and more quickly gain insights. Reusable, standards-based ways of doing data collection, ingestion, and contextualization are particularly important for scaling access and use of data. The SMIP uses a standards-based definition and construct for reusable information models called an SM Profile. When an SM Profile is used in conjunction with the SMIP, the SMIP ensures the availability of contextualized, operational data for model building. The present work demonstrates Smart Manufacturing and the application of the SMIP for building several data-centered models for the operation and control of an ex- perimental electrochemical reactor that reduces carbon dioxide (CO 2 ) gas to valuable liquid and gas chemicals, such as alcohols, olefins, and syngas. We describe how the SMIP plays a central role in more effective model building and we demonstrate how the electochemical reactor can be controlled and optimized for the desired products. Use of the SMIP involves the transmission of real-time sensor measurements to a cloud resource so that the operating data are available to all model building experts. The data collection and transmission process is fully automated to greatly reduce the need for manual manipulation of the data. Data-driven machine learning models are used for advanced real-time state estimation, real-time optimization, and model-based feedback control for the reactor. The application models are implemented as a system to monitor the data flow and control the electrochemical reactor with a single visualization interface. SM Profiles are used to demonstrate reusability of the information models for the reactor and the instrumentation. The application packages, algorithms, and user interfaces developed are cast as Docker images in a library to facilitate reusability of the application models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Characteristic orientation relationships in nanoscale Al-Al2Cu Eutectic

Highlights: • Nano-scale lamellar Al-Al{sub 2}Cu eutectic was synthesized by laser surface remelting. • Orientation relationship (OR) is {211}{sub Al2Cu}||{111}{sub Al} and <120>{sub Al2Cu}||<110>{sub Al.} • The OR has two variants, I has (001){sub Al2Cu}||{001}{sub Al} and II has (001){sub Al2Cu}||{111}{sub Al.} • Variant I is associated with low energy interfaces. - Abstract: A fully lamellar Al-Al{sub 2}Cu eutectic comprising alternate nano-scale α-Al and θ-Al{sub 2}Cu phases was synthesized through laser surface remelting of a cast Al-32.7 wt% Cu alloy. The orientation relationship between α-Al and θ-Al{sub 2}Cu phases was investigated from Kikuchi patterns obtained using electron backscattered diffraction (EBSD) and t-EBSD techniques. The characteristic orientation relationship (OR), {211}{sub Al2Cu}||{111}{sub Al} and <120>{sub Al2Cu}||<110>{sub Al}, was observed independent of interlamellar spacing. This OR has two variants where, besides the two parallel planes, the variant I exhibits (001){sub Al2Cu}||{001}{sub Al} and the variant II exhibits (001){sub Al2Cu}||{111}{sub Al}. Variant I prevails over variant II in laser-processed α-Al and θ-Al{sub 2}Cu nano-laminates, and atomistic modeling indicates that this is due to the low energy interfaces associated with variant I, i.e., {211}{sub Al2Cu}||{111}{sub Al} or (001){sub Al2Cu}||{001}{sub Al}. A comprehensive understanding of the crystallographic orientation relationships between two phases may help predict or explain the active slip systems in fine-scale Al-Al{sub 2}Cu eutectic and other cubic-tetragonal two-phase materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2016

Design of Removable Shield Modules for Nuclear Plant Applications Using Monte Carlo Modeling - 16264

A new modular shielding system has been designed and developed for nuclear plant applications as a replacement for traditional concrete blocks and plugs. The shield comprises interlocking modules that are custom designed using CAD and Monte Carlo modelling methods. The key benefit of these new modules is that they can be quickly removed and re-installed to allow temporary access to high radiation environments e.g. for maintenance and repair of plant equipment at nuclear power plants or waste handling facilities. The traditional method for construction of these removable concrete blocks and plugs was to cast them in place. Within the aging fleet of commercial reactors, some plants are experiencing concrete degradation of these shield blocks and plugs as well as failure of lifting points. Additionally, the existing plugs are difficult to remove and re-install. The new modular system comprises a rigid steel enclosure filled with lead that can be installed in a fraction of the normal time. This approach can accelerate outage times leading to reduced dose uptake to operators and provide significant long term cost savings. Use of Monte Carlo methods enables the shielding modules to be designed efficiently for neutron and gamma ray attenuation with the minimum necessary thickness of lead and steel. Furthermore, the modelling ensures the design is not compromised by streaming pathways, for example at the overlaps between modules or through internal structural components. Shielding modules were supplied to the Brunswick Nuclear Power station (BNP), operated by Duke Energy, located in southeast United States. These modules have been installed to replace concrete shield plugs that are located on the roof above a Feed Water Heaters (FWH) bay. While specific in application, this project demonstrates that the shield module design concept could be expanded to address vertical block walls routinely found in personnel and equipment access hatches. This approach is applicable to a wide variety of new and existing nuclear facilities and will lead to improved safety and reduced lifetime costs all the way through to future decommissioning and dismantling operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Optimized Carbon Fiber Intermediate Development to Enable High-Volume Manufacturing of Lightweight Automotive Composites

The ongoing pursuit of improved fuel economy and reduced greenhouse gas emissions has resulted in sustained interest for lightweight materials technologies. In this context, carbon fiber composites have captured the imagination of automotive engineers due to the potential to achieve substantial mass reduction when compared to traditional steel construction. That stated, the use of carbon fiber composites in automotive has been limited for the most part to premium supercars and other derivative platforms. In these cases, manufacturing costs are less of an obstacle to implementation, and the performance benefits of carbon fiber have enabled production of structures offering more than 50% weight savings. In practice, translating these low-volume demonstrations onto high-volume vehicle platforms has remained challenging. This can be attributed to several factors, with the absence of suitable high throughput production methodologies being a key impediment. To date, structural, crash critical components have relied upon manufacturing techniques born out of the aerospace industry. This has created a disconnect between automotive production systems that are accustomed to manufacturing multiple parts per minute and the aerospace technologies that have cycle times in the order of hours. Consequently, the focus of this project is the development of manufacturing process technology for carbon fiber composites that can support a mainstream vehicle program at an assumed throughput of 100,000 vehicles per year. In practice, this translates to a part-to-part cycle time of less than 3 minutes. Project participation included contributions from a broad range of academic, industrial and national lab partners. The primary scope of work, being the development of new carbon fiber epoxy compounds that are stable at room temperature and suited to high throughput automated processing. For project management, the work streams were divided into six key areas, with the lead organization in parentheses. • Carbon fiber/epoxy materials formulation development and scale up (Dow) • Simulation of discontinuous near isotropic meso-structure intermediates (Purdue) • Simulation of mechanical performance of compression molded components (Purdue) • Meso-Scale morphological analysis and correlation with structural performance (UTK) • Paint and adhesion durability analysis (MSU) • Demonstrator part design, prototype production, and validation testing (Ford). The primary goal at the commencement of the project was development of a chopped carbon fiber sheet molding compound (SMC) that offered a three times improvement in tensile modulus over a comparable glass-based SMC. In addition to meeting mechanical performance targets, the resin kinetics were modified to achieve a processing cycle time of less than 3 minutes. Other critical-to-quality (CTQ) specifications were also stipulated to account for a broad range of materials and processing characteristics. To achieve the above, staff scientists at Dow Chemical created an extensive series of new epoxy blends for testing and validation. Throughout this development, a key challenge was attaining material performance goals without impacting processing behavior and paintability of finished components. The latter required a new internal mold release system being developed by Dow that was designed to complement the kinetics of the rapid cure epoxy. As a complement to work studies at the industrial partners, the teams from academia executed a series of analytical and experimental studies to investigate potential factors influencing CF-SMC performance. Unit cell models were developed to capture the meso-scale representations of the fiber matrix architecture. Results of this analysis and subsequent morphological investigations led to the design of a novel composite derivative comprising carbon fiber platelets embedded in an epoxy matrix; the platelet size and aspect ratio playing significant role in final composite properties. This approach was a departure from previous research in CF-SMC development whereby bulk filamentization or disassembly of the carbon fiber rovings had been considered the most effective means of achieving both fiber wet through and wet-out. As the course of the academia studies progressed, the aspect ratio of the fiber constituents was further optimized before finalizing material attributes and processing conditions. For the purposes of technology validation, the Ford team led a work stream devoted to the design, fabrication and testing of demonstration components. The carbon fiber SMC material has the potential to displace numerous stampings and castings on an automotive structure but ultimately vehicle closure applications were selected to showcase the abilities of the CF-SMC to achieve both mass reduction and business case for large complex structures. Using target properties established by the Dow staff scientists, the complete closure system for a full-size sedan decklid and a mid-size wagon liftgate were engineered. Prototypes for both applications were fabricated using production representative processing methods to allow for physical testing and performance validation of the CF-SMC structures. Following completion of a testing program that concluded with a FMVSS301 55 mph offset rear crash, the CF-SMC formulation was declared by the Ford team to have met all engineering requirements. To summarize, the joint development activities during this project led to significant technical breakthroughs and achievement of all milestones. The result was the development of a novel, tack-free carbon fiber molding compound that is suited to automated processing. This combined room temperature stability, fast cure kinetics, and internal mold release system facilitates cycle times that are conducive to high-volume production. The VORAFUSE M6400 successfully passed technology validation at Ford and is now eligible for consideration on future production commercial vehicle programs.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Online Monitoring System for Concrete Structures Affected by Alkali-Silica Reaction

This report presents a comprehensive study of developing ultrasonic wave and acoustic emission (AE) techniques for long-term monitoring of alkali-silica reaction (ASR) development in concrete. Small, medium, and full-scale concrete specimens were cast, conditioned, and monitored for various periods, from at least one year to 2.4 years. The reactive concrete specimens contain coarse or fine reactive aggregates to study the effects of different types of reactive aggregates. Confinements were also designed to simulate the 2-dimensional confinement effects of reinforcement in the shield building of nuclear power plants. The concrete specimens were stored in a environmental chamber with high humidity and high temperature to accelerate the ASR development. The ultrasonic monitoring data shows high sensitivity to ASR development and could detect cracking initiation well before visible surface cracks occurred. However, the linear ultrasonic analysis based on wave velocity is strongly affected by temperature variation. Therefore, a nonlinear ultrasonic method was proposed to measure thermally induced nonlinear acoustic responses of concrete (thermal modulation of ultrasonic wave). The measured nonlinear acoustic parameter shows a high correlation with ASR expansion across specimens with different reactive aggregates and confinement conditions. The same conclusion was obtained from nonlinear resonance tests on small concrete prisms. Compared to the linear acoustic methods, the nonlinear tests show high sensitivities to ASR damage from internal microcracking initiation at the early stage to visible cracks at the late stage of ASR. The attributes of the thermal modulation of nonlinear ultrasonic method include high sensitivity, immunity to temperature effects, and strong correlation with ASR expansion, which demonstrate great potentials of the nonlinear ultrasonic method for diagnosis of ASR damage and prediction of concrete deterioration process. Acoustic emission is a passive sensing technique for damage assessment, and access to only one surface is needed even for thick and heavily reinforced elements such as the walls utilized for nuclear shield building. Additionally, relatively few sensors are required to monitor the progression of the damage process. Results indicate that the AE data can be related to the damage rating index, which is a petrography-based means of assessing damage due to ASR in reinforced concrete. Furthermore, AE is capable of detecting ASR damage long before surface cracking is visually noticeable. Boundary conditions play in important role in the progression of ASR damage and differences in boundary conditions are reflected in the AE data. Entropy based data assessment methods provide a means to assess the damage state, and convolutional neural network based data assessment provided a means to assess the damage state in real-time. Results indicate that artificial neural network models may be used as a means to predict volumetric expansion based on AE data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

How bad or good are the external forward shock afterglow models of gamma-ray bursts?

The external forward shock models have been the standard paradigm to interpret the broadband afterglow data of gamma-ray bursts (GRBs). One prediction of the models is that some afterglow temporal breaks at different energy bands should be achromatic; that is, the break times should be the same in different frequencies. Multiwavelength observations in the Swift era have revealed chromatic afterglow behaviors at least in some GRBs, casting doubts on the external forward shock origin of GRB afterglows. In this paper, using a large sample of GRBs with both X-ray and optical afterglow data, we perform a systematic study to address the question: how bad or good are the external forward shock models? Our sample includes 85 GRBs up to 2014 March with well-monitored X-ray and optical light curves. Based on how well the data abide by the external forward shock models, we categorize them into five grades and three samples. The first two grades (Grade I and II) include 45 of 85 GRBs. They show evidence of, or are consistent with having, an achromatic break. The temporal and spectral behaviors in each afterglow segment are consistent with the predictions (the “closure relations”) of the forward shock models. These GRBs are included in the Gold sample. The next two grades (Grade III and IV) include 37 of 85 GRBs. They are also consistent with having an achromatic break, even though one or more afterglow segments do not comply with the closure relations. These GRBs are included in the Silver sample. Finally, Grade V (3/85) shows direct evidence of chromatic behaviors, suggesting that the external shock models are inconsistent with the data. These are included in the Bad sample. We further perform statistical analyses of various observational properties (temporal index α, spectral index β, break time t{sub b}) and model parameters (energy injection index q, electron spectral index p, jet opening angle θ{sub j}, radiative efficiency η{sub γ}, and so on) of the GRBs in the Gold sample, and derive constraints on the magnetization parameter ϵ{sub B} in the forward shock. Overall, we conclude that the simplest external forward shock models can account for the multiwavelength afterglow data of at least half of the GRBs. When more advanced modeling (e.g., long-lasting reverse shock, structured jets, arbitrary circumburst medium density profile) is invoked, up to >90% of the afterglows may be interpreted within the framework of the external shock models.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Rapid Commissioning of Large Machine Tools Using Finite Element-Based Correction of Geometric Errors

Large computer numerical control (CNC) machine tools derive their stiffness from monolithic cast iron bases or weldments that are sometimes integral to machine motion systems like box ways or guideways. However, the sheer size of castings and even floor flatness deviations result in dimensional errors in these systems, which manifest as machine motion errors. Typical geometric alignment processes rely on an iterative approach, where measurements are taken to assess alignment (straightness, squareness, and parallelism), followed by adjustment of the machine supports (fixators or leveling pads), which can take weeks even for an experienced operator. Conversely, a novel method is proposed to shorten the correction time by eliminating the trial-and-error process in favor of a more deterministic approach guided by a finite element (FE) method. A feasibility study is conducted on a CNC polymer hybrid machine, with a steel weldment frame, supported by six leveling pads. An FE model of the frame is utilized to obtain recommended leveling pad adjustments, based on measurement of machine errors taken using a laser tracker. After a single adjustment cycle, measurements reveal that geometric errors of the machine tool are reduced from 2.22 mm of flatness deviation to 0.32 mm, achieving an 85.6% reduction. Furthermore, the entire process including measurement, adjustment, and assessment is completed in just 6 h by two operators who are not professional service engineers. In conclusion, this methodology demonstrates feasibility for scaling up, especially to large, high-precision CNC machine tools with bases mounted by fixators, offering the capability for bidirectional adjustment.

42 ENGINEERING↗