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At least 1,675 records · Page 93

Machine learning in nuclear materials research

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes with associated transmutations, high temperature and temperature gradients, mechanical stresses, and corrosive coolants. They also have a wide range of microstructural and chemical makeups, resulting in multifaceted and often out-of-equilibrium interactions. Machine learning (ML) is increasingly being used to tackle these complex time-dependent interactions and aid researchers in developing models and making predictions, sometimes with better accuracy than traditional modeling that focuses on one or two parameters at a time. Conventional practices of acquiring new experimental data in nuclear materials research are often slow and expensive, limiting the opportunity for data-centric ML, but new methods are changing that paradigm. Here we review high-throughput computational and experimental data approaches, especially robotic experimentation and active learning that is based on Gaussian process and Bayesian optimization. We show ML examples in structural materials (e.g., reactor pressure vessel (RPV) alloys and radiation detecting scintillating materials) and highlight new techniques of high-throughput sample preparation and characterizations, and automated radiation/environmental exposures and real-time online diagnostics. Herein, this review suggests that ML models of material constitutive relations in plasticity, damage, and even electronic and optical responses to radiation are likely to become powerful tools as they develop. Finally, we speculate on how the recent trends of using natural language processing (NLP) to aid the collection and analysis of literature data, interpretable artificial intelligence (AI), and the use of streamlined scripting, database, workflow management, and cloud computing platforms that will soon make the utilization of ML techniques as commonplace as the spreadsheet curve-fitting practices of today.

36 MATERIALS SCIENCE↗

The threshold vs LNT showdown: Dose rate findings exposed flaws in the LNT model part 1. The Russell-Muller debate

This paper assesses the discovery of the dose-rate effect in radiation genetics and how it challenged fundamental tenets of the linear non-threshold (LNT) dose response model, including the assumptions that all mutational damage is cumulative and irreversible and that the dose-response is linear at low doses. Newly uncovered historical information also describes how a key 1964 report by the International Commission for Radiological Protection (ICRP) addressed the effects of dose rate in the assessment of genetic risk. This unique story involves assessments by two leading radiation geneticists, Hermann J. Muller and William L. Russell, who independently argued that the report's Genetic Summary Section on dose rate was incorrect while simultaneously offering vastly different views as to what the report's summary should have contained. This paper reveals occurrences of scientific disagreements, how conflicts were resolved, which view(s) prevailed and why. During this process the Nobel Laureate, Muller, provided incorrect information to the ICRP in what appears to have been an attempt to manipulate the decision-making process and to prevent the dose-rate concept from being adopted into risk assessment practices. - Highlights: • The discovery of radiation dose rate challenged the scientific basis of LNT. • Radiation dose rate occurred in males and females. • The dose rate concept supported a threshold dose-response for radiation.

54 ENVIRONMENTAL SCIENCES↗

Phase instabilities in austenitic steels during particle bombardment at high and low dose rates

Disruption of phase stability by energetic particle bombardment is a major challenge in designing advanced radiation-tolerant alloys and ion beam processing of nanocomposites. Particularly, ballistic dissolution susceptibility of different solute nanocluster species in alloys is poorly understood. Here, low dose rate neutron irradiations were conducted on a Fe-Cr-Ni based austenitic steel in the BOR-60 reactor (9.4 × 10 -7 dpa/s, 318 °C) followed by accelerated dose rate ion irradiations at multiple temperatures ( 10 -3 dpa/s, 380 – 420 °C). Using atom probe tomography, the stability of radiation-enhanced Cu-rich and radiation-induced Ni-Si-Mn-rich nanoclusters was evaluated. During neutron irradiation, Cu-rich clusters nucleated with their core concentrations progressively increasing with dose, while Ni-Si-Mn-rich clusters formed and evolved into G-phase precipitates. Ion irradiations dramatically altered the nanoclusters. Cu-rich clusters were ballistically dissolved, but Ni-Si-Mn-rich clusters remained stable and coarsened with dose at 400 and 420 °C, highlighting that different nanocluster species in a single microstructure can have innately distinct ballistic dissolution susceptibilities. Solute-specific recoil rates were incorporated into the Heinig precipitate stability model, which shows that in addition to radiation-enhanced diffusion, recovery from ballistic dissolution depends on solute concentration gradient near cluster interfaces. Finally, the combined experimental-modeling study quantified the critical temperatures and damage rates where ballistic dissolution dominates for each cluster species.

36 MATERIALS SCIENCE↗

Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser

To understand how molecules function in biological systems, new methods are required to obtain atomic resolution structures from biological material under physiological conditions. Intense femtosecond-duration pulses from X-ray free-electron lasers (XFELs) can outrun most damage processes, vastly increasing the tolerable dose before the specimen is destroyed. This in turn allows structure determination from crystals much smaller and more radiation sensitive than previously considered possible, allowing data collection from room temperature structures and avoiding structural changes due to cooling. Regardless, high-resolution structures obtained from XFEL data mostly use crystals far larger than 1 μm3 in volume, whereas the X-ray beam is often attenuated to protect the detector from damage caused by intense Bragg spots. Here, we describe the 2 Å resolution structure of native nanocrystalline granulovirus occlusion bodies (OBs) that are less than 0.016 μm3 in volume using the full power of the Linac Coherent Light Source (LCLS) and a dose up to 1.3 GGy per crystal. The crystalline shell of granulovirus OBs consists, on average, of about 9,000 unit cells, representing the smallest protein crystals to yield a high-resolution structure by X-ray crystallography to date. The XFEL structure shows little to no evidence of radiation damage and is more complete than a model determined using synchrotron data from recombinantly produced, much larger, cryocooled granulovirus granulin microcrystals. Furthermore, our measurements suggest that it should be possible, under ideal experimental conditions, to obtain data from protein crystals with only 100 unit cells in volume using currently available XFELs and suggest that single-molecule imaging of individual biomolecules could almost be within reach.

36 MATERIALS SCIENCE↗

Interactions between urban heat islands and heat waves

Heat waves (HWs) are among the most damaging climate extremes to human society. Climate models consistently project that HW frequency, severity, and duration will increase markedly over this century. For urban residents, the urban heat island (UHI) effect further exacerbates the heat stress resulting from HWs. Here we use a climate model to investigate the interactions between the UHI and HWs in 50 cities in the United States under current climate and future warming scenarios. We examine UHI 2m (defined as urban-rural difference in 2m-height air temperature) and UHI s (defined as urban-rural difference in radiative surface temperature). Our results show significant sensitivity of the interaction between UHI and HWs to local background climate and warming scenarios. Sensitivity also differs between daytime and nighttime. During daytime, cities in the temperate climate region show significant synergistic effects between UHI and HWs in current climate, with an average of 0.4 K higher UHI 2m or 2.8 K higher UHI s during HWs than during normal days. These synergistic effects, however, diminish in future warmer climates. In contrast, the daytime synergistic effects for cities in dry regions are insignificant in the current climate, but emerge in future climates. At night, the synergistic effects are similar across climate regions in the current climate, and are stronger in future climate scenarios. We use a biophysical factorization method to disentangle the mechanisms behind the interactions between UHI and HWs that explain the spatial-temporal patterns of the interactions. Results show that the difference in the increase of urban versus rural evaporation and enhanced anthropogenic heat emissions (air conditioning energy use) during HWs are key contributors to the synergistic effects during daytime. The contrast in water availability between urban and rural land plays an important role in determining the contribution of evaporation. At night, the enhanced release of stored and anthropogenic heat during HWs are the primary contributors to the synergistic effects.

54 ENVIRONMENTAL SCIENCES↗

A Perspective on Scalable AI on High-Performance Computing and Leadership Class Supercomputing Facilities [Industrial and Governmental Activities]

Many scientific applications that support the mission of the US Department of Energy (US-DoE) require modeling complex engineering and/or physical systems. Here, examples of such complex systems arise from: (a) materials science to develop new compounds with exceptional mechanical and thermodynamical properties (e.g., resistance to mechanical stresses and high temperatures), (b) structural and nuclear engineering to model the temporal evolution of the structural damage of concrete shields exposed to continuous neutron and gamma radiations emitted by the nuclear reactor core, (c) urban sciences (e.g., transportation and smart buildings), and (d) power grid systems.

97 MATHEMATICS AND COMPUTING↗

Modeling Creep-Fatigue-Environment Interactions in Steam Turbine Rotor Materials for Advanced Ultra-supercritical Coal Power Plants

The goal of this project is to model creep-fatigue-environment interactions in steam turbine rotor materials for advanced ultra-supercritical (A-USC) coal power Alloy 282 plants, to develop and demonstrate computational algorithms for alloy property predictions, and to determine and model key mechanisms that contribute to the damages caused by creep-fatigue-environment interactions.

36 MATERIALS SCIENCE↗

Mid-Latitude Circulation and Extremes in a Changing Climate

Mid-latitude extreme weather events are responsible for a large part of climate-related damage. Yet large uncertainties remain in climate model projections of heat waves, droughts, and heavy rain/snow events on regional scales, limiting our ability to effectively use these projections for climate adaptation and mitigation. These uncertainties can be attributed to both the lack of spatial resolution in the models, and to the lack of a dynamical understanding of these extremes. The approach of this project is to relate the fine-scale features to the large scales in current climate simulations, seasonal re-forecasts, and climate change projections in a very wide range of models, including the atmospheric and coupled models of ECMWF over a range of horizontal resolutions (125 to 10 km), aqua-planet configuration of the Model for Prediction Across Scales and High Order Method Modeling Environments (resolutions ranging from 240 km – 7.5 km) with various physics suites, and selected CMIP5 model simulations. The large scale circulation will be quantified both on the basis of the well tested preferred circulation regime approach, and very recently developed measures, the finite amplitude Wave Activity (FAWA) and its spectrum. The fine scale structures related to extremes will be diagnosed following the latest approaches in the literature. The goal is to use the large scale measures as indicators of the probability of occurrence of the finer scale structures, and hence extreme events. These indicators will then be applied to the CMIP5 models and time-slice projections of a future climate.

54 ENVIRONMENTAL SCIENCES↗

Effects of ATR-2 Irradiation to High Fluence on Nine RPV Surveillance Materials

The reactor pressure vessel (RPV) in a light-water reactor (LWR) represents the first line of defense against a release of radiation in case of an accident. Thus, regulations that govern the operation of commercial nuclear power plants require conservative margins of fracture toughness, both during normal operation and under accident scenarios. In the unirradiated condition, the RPV has sufficient fracture toughness such that failure is implausible under any postulated condition, including pressurized thermal shock (PTS) in pressurized water reactors (PWR). In the irradiated condition, however, the fracture toughness of the RPV may be severely degraded, with the degree of toughness loss dependent on the radiation sensitivity of the materials. The available embrittlement predictive models and our present understanding of radiation damage are not fully quantitative, and do not treat all potentially significant variables and issues, particularly considering extension of operation to 80y.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Mid-Latitude Circulation and Extremes in a Changing Climate. Final Technical Report for DOE Award DE-SC0012599

Mid-latitude extreme weather events are responsible for a large part of climate-related damage. Yet large uncertainties remain in climate model projections of heat waves, droughts, and heavy rain/snow events on regional scales, limiting our ability to effectively use these projections for climate adaptation and mitigation. These uncertainties can be attributed to both the lack of spatial resolution in the models, and to the lack of a dynamical understanding of these extremes. The objectives of this proposal were to first to develop empirical and theoretical understanding of how fine-scale features of the atmospheric circulation that are responsible for extreme events (such as blocking, atmospheric rivers, Rossby wave breaking) are related to more easily quantifiable larger scale circulation patterns, and on the basis of this develop specific metrics that can be applied to a range of atmospheric and coupled atmosphere-ocean models to diagnose their prediction of extremes. These metrics were used to understand what model resolution is necessary to describe the probability of extreme events realistically, and will be applied to CMIP5 models and high resolution time-slice projections of future climate to better understand the potential for the shifts and intensification of extremes over North America in a changing climate. The approach was to relate the fine-scale features to the large scales in current climate simulations, seasonal re-forecasts, and climate change projections in a very wide range of models, including the atmospheric and coupled models of ECMWF over a range of horizontal resolutions (125 to 10 km), aqua-planet configuration of the Model for Prediction Across Scales and High Order Method Modeling Environments (resolutions ranging from 240 km – 7.5 km) with various physics suites, and selected CMIP5 model simulations. The large scale circulation will be quantified both on the basis of the well-tested preferred circulation regime approach, and very recently developed measures, the finite amplitude Wave Activity and its spectrum. The fine scale structures related to extremes were diagnosed following the latest approaches in the literature. The goal is to use the large scale measures as indicators of the probability of occurrence of the finer scale structures, and hence extreme events. These indicators will then be applied to the CMIP5 models and time-slice projections of a future climate. The expected outcomes of this research were: (i) a unified methodology and set of metrics that will enable modelers to assess the probability of extreme events in various current and future climate simulations, (ii) an estimate of the model resolution needed to capture extreme events in a realistic way, and (iii) a better understanding of the extreme events over North America in a changing climate.

54 ENVIRONMENTAL SCIENCES↗

Mid-Latitude Circulation and Extremes in a Changing Climate

Mid-latitude extreme weather events are responsible for a large part of climate-related damage. Yet large uncertainties remain in climate model projections of heat waves, droughts, and heavy rain/snow events on regional scales, limiting our ability to effectively use these projections for climate adaptation and mitigation. These uncertainties can be attributed to both the lack of spatial resolution in the models, and to the lack of a dynamical understanding of these extremes. The objectives of this proposal were to first to develop empirical and theoretical understanding of how fine-scale features of the atmospheric circulation that are responsible for extreme events (such as blocking, atmospheric rivers, Rossby wave breaking) are related to more easily quantifiable larger scale circulation patterns, and on the basis of this develop specific metrics that can be applied to a range of atmospheric and coupled atmosphere-ocean models to diagnose their prediction of extremes. These metrics were used to understand what model resolution is necessary to describe the probability of extreme events realistically, and will be applied to CMIP5 models and high resolution time-slice projections of future climate to better understand the potential for the shifts and intensification of extremes over North America in a changing climate. The approach was to relate the fine-scale features to the large scales in current climate simulations, seasonal re-forecasts, and climate change projections in a very wide range of models, including the atmospheric and coupled models of ECMWF over a range of horizontal resolutions (125 to 10 km), aqua-planet configuration of the Model for Prediction Across Scales and High Order Method Modeling Environments (resolutions ranging from 240 km – 7.5 km) with various physics suites, and selected CMIP5 model simulations. The large scale circulation will be quantified both on the basis of the well-tested preferred circulation regime approach, and very recently developed measures, the finite amplitude Wave Activity and its spectrum. The fine scale structures related to extremes were diagnosed following the latest approaches in the literature. The goal is to use the large scale measures as indicators of the probability of occurrence of the finer scale structures, and hence extreme events. These indicators will then be applied to the CMIP5 models and time-slice projections of a future climate. The expected outcomes of this research were: (i) a unified methodology and set of metrics that will enable modelers to assess the probability of extreme events in various current and future climate simulations, (ii) an estimate of the model resolution needed to capture extreme events in a realistic way, and (iii) a better understanding of the extreme events over North America in a changing climate.

54 ENVIRONMENTAL SCIENCES↗

A Computational Study of the Shear Behavior of Reinforced Concrete Beams Affected from Alkali–Silica Reactivity Damage

In this study, an investigation of the shear behavior of full-scale reinforced concrete (RC) beams affected from alkali–silica reactivity damage is presented. A detailed finite element model (FEM) was developed and validated with data obtained from the experiments using several metrics, including a force–deformation curve, rebar strains, and crack maps and width. The validated FEM was used in a parametric study to investigate the potential impact of alkali–silica reactivity (ASR) degradation on the shear capacity of the beam. Degradations of concrete mechanical properties were correlated with ASR expansion using material test data and implemented in the FEM for different expansions. The finite element (FE) analysis provided a better understanding of the failure mechanism of ASR-affected RC beam and degradation in the capacity as a function of the ASR expansion. The parametric study using the FEM showed 6%, 19%, and 25% reduction in the shear capacity of the beam, respectively, affected from 0.2%, 0.4%, and 0.6% of ASR-induced expansion.

36 MATERIALS SCIENCE↗

An engineering approach to the prediction of fatigue behavior of unnotched/notched fiber reinforced composite laminates

An engineering approach is proposed for predicting unnotched/notched laminate fatigue behavior from basic lamina fatigue data. The fatigue analysis procedure was used to determine the laminate property (strength/stiffness) degradation as a function of fatigue cycles in uniaxial tension and in plane shear. These properties were then introduced into the failure model for a notched laminate to obtain damage growth, residual strength, and failure mode. The approach is thus essentially a combination of the cumulative damage accumulation (akin to the Miner-Palmgren hypothesis and its derivatives) and the damage growth rate (similar to the fracture mechanics approach) philosophies. An analysis/experiment correlation appears to confirm the basic postulates of material wearout and the predictability of laminate fatigue properties from lamina fatigue data.

Kulkarni, S. V.↗

Three year performance of the NTS-2 solar cell experiment

Twelve different solar cell modules from the NTS 2 experiment are functioning after more than three years in a severe trapped radiation orbit of 20,367 km (10,990 nm) circular, 63 deg inclination. The rate of maximum power degradation may be fit to a predicted rate which is based on twice the value of 1 MeV electron equivalent damage fluence calculated from the space electron model AEI 7. The photovoltaic parameters of the cells are compared to their original values to demonstrate rank order of performance.

Statler, R. L.↗

The effects of microcracking on the thermal expansion of graphite-epoxy composites

A study of the effects of thermal environment and microcracking in graphite epoxy composites was made. Research indicates that microcracking does affect the thermal expansion of composite laminates. The amount of reduction in thermal expansion was a function of the crack density. A maximum reduction of approximately 25% occurred in a quasi-isotropic specimen with a crack density of 2.05 mm 1 in the 90 deg plies. Laminate analysis with appropriate reductions in E sub 2 and Alpha sub 2 of the damaged plies appears to be capable of modeling the observed

Bowles, D. E.↗

Fatigue behavior of continuous fiber silicon-carbide-aluminum composites

Four lay-ups of continuous fiber silicon carbide (SCS2) fiber/aluminum matrix composites were tested to assess fatigue mechanisms including stiffness loss when cycled below their respective fatigue limits. The lay-ups were 0 (sub 8), 0(sub 2)/ + or - 45 (sub 2s), 0/90 (sub 2s),and 0/ + or 45/90 (subs). The data were compared with predictions from the author's previously published shakedown model which predicts fatigue-induced stiffness loss in metal matrix composites. A fifth lay-up, + or - 45 (sub 2s), was tested to compare shakedown and fatigue limits. The particular batch of silicon-carbide fibers tested in this program had a somewhat lower modulus (340 GPa) than expected and displayed poor bonding to the aluminum matrix. Good agreement was obtained between the stiffness loss model and the test data. The fatigue damage below the fatigue limit was primarily in the form of matrix cracking. The fatigue limit corresponded to the laminate shakedown for the + or - 45 (sub 2s) laminate.

Johnson, W. S.↗

Effect of ion sputtering on interface chemistry and electrical properties of Au GaAs(100) Schottky contacts

The effects of sputtering n-type (100)GaAs with 1 to 5 keV argon ions have been studied in ultrahigh vacuum. Auger electron and X-ray photoelectron spectroscopies have been used to characterize the surface before and after sputtering. Gold Schottky contacts were prepared in situ to avoid contamination at the metal/semiconductor interface. The data show that sputtering depletes the surface in As, and the extent of depletion increased as the ion energy was increased. However, angular-resolved photoelectron data showed As was enriched on the outer atom layer by 5 keV but depleted by 1 keV Ar(+) sputtering. Current and capacitance versus voltage data showed that sputtering always lowered the Schottky barrier height and generally increased the ideality factor. However, the barrier height after 3 keV sputtering was higher than after 1 keV sputtering. Those effects are explained based on a combined effective work function model and creation of a donorlike surface damage layer. The donor layer was correlated with As depletion by sputtering. Deep level trap formation and annealing of sputtering effects were studied.

Wang, Y.-X.↗