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DOE OSTI2012

From Bombs to Breast Cancer Imaging: Los Alamos National Laboratory

In the United States, one in eight women will be affected by breast cancer. According to the American Cancer Society, breast cancer is the most commonly diagnosed - as well as the second most fatal - cancer in American women. It is estimated that there will be nearly 200,000 diagnoses of breast cancer this year; more than 40,000 of these will be fatal. Although advances in medical technologies have greatly increased the odds of surviving the disease, the increase in screenings has not resulted in a significant reduction in the breast cancer mortality rate. Moreover, recent studies have even suggested that an increase in these methods might, in itself, cause cancer. A new tool for early detection and diagnosis of breast cancer, supported by an award from the Breast Cancer Research Program (BCRP) of the Congressionally Directed Medical Research Programs of Department of Defense, could give women a new advantage in the fight against breast cancer. This LANL-led project will integrate ultrasound tomography (UST) with recent discoveries in the field of cell and tissue biomechanics to improve breast cancer detection and characterization. UST uses ultrasound waves instead of X-rays to identify and characterize breast tumors. This technology reveals small mechanical-property changes within the breast. These changes are often the earliest signs of breast cancer. Additionally, UST is effective for women with dense breast tissue, who have a higher risk of developing breast cancer. Because the technology does not use radiation, UST can also be used as frequently as needed for women with a high risk of developing breast cancer. In contrast, mammography, the only routine breast-cancer screening tool currently available, is not effective for women with dense breast tissue and may come with unwanted side-effects caused by ionizing radiation. UST has great potential to become an alternative breast-cancer screening tool because of UST's advantages and benefits over mammography. Currently, there is fierce debate surrounding the age at which breast cancer screening should begin, and once begun, how often it should occur. The American Cancer Society recommends yearly mammograms starting at age 40. On the other hand, the U.S. Preventive Services Task Force recommends against routine so early. Rather, the Task Force recommends biennial mammography screening for women aged 50 to 74 years. The ten-year discrepancy in the onset of screening results from recent data suggesting that the frequent use of X-ray radiation during screenings could potentially increase the likelihood of developing cancer. This danger is increased by the low sensitivity and accuracy of mammograms, which sometimes require multiple screenings to yield results. Furthermore, mammograms are often not only inaccurate, but average appalling misdiagnoses rates: about 80% false positives and 15% false negatives. These misdiagnoses lead to unwarranted biopsies at an estimated health care cost of $2 billion per year, while at the same time, resulting in excessive cases of undetected cancer. As such, the National Cancer Institute recommends more studies on the advantages of types and frequency of screenings, as well as alternative screening options. The UST technology developed at LANL could be an alternative option to greatly improve the specificity and sensitivity of breast cancer screening without using ionizing radiation. LANL is developing high-resolution ultrasound tomography algorithms and a clinical ultrasound tomography scanner to conduct patient studies at the UNM Hospital. During UST scanning, the patient lies face-down while her breast, immersed in a tank of warm water, is scanned by phased-transducer arrays. UST uses recorded ultrasound signals to reconstruct a high-resolution three-dimensional image of the breast, showing the spatial distribution of mechanical properties within the breast. Breast cancers are detected by higher values of mechanical properties compared to surrounding tissues. Thus, high-resolution breast images obtained using LANL's novel UST algorithms have the potential to detect breast cancer at its earliest stage. The goal of this Multi-Team Award project is two-fold: (1) develop a novel, safe and cost-effective breast-imaging technique, and (2) improve the specificity and sensitivity of breast cancer imaging. The project is expected to integrate basic research with clinical studies, perform substantive cross-disciplinary training among scientists on the teams and involve participation of consumer advocates. Those involved in the project are optimistic about future developments.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2024

DOE BSSD Performance Management Metrics Report Q2

The vision of the National Microbiome Data Collaborative (NMDC) centers on the concept of connecting data, people, and ideas to advance microbiome innovation and discovery. Building data infrastructure, while key to NMDC’s ability to execute on our vision, can only go so far in creating scientific impact. By fostering strong community partnerships and developing a set of robust community outreach and training programs, we are able to turn our products – the Submission Portal, NMDC EDGE, and the Data Portal – into tools that empower the scientific community. Our multi-pronged community building approach spans individual researchers, research teams, consortia and scientific societies, and institutions and federal agencies. To foster a collaborative and inclusive community-centered environment, we have identified three strategic objectives to promote an inclusive and connected community: (1) recognize and support the diverse research needs and perspectives of the microbiome research community; (2) promote best practices across the microbiome community, from researchers to funders, through community-driven practices (FAIR, CARE, and TRUST); and (3) build a microbiome ecosystem that enables scientific discovery and innovation across stakeholders. These strategic objectives allow our team to focus on impact across a diverse range of activities, from launching the American Society for Microbiology (ASM) Microbiome Data Prize to supporting the Ambassador and Champions programs fostering learning and building a collaborative network. We broadly communicate our work through social media (X/Twitter, LinkedIn, and Instagram), The Microbiome Standard (our quarterly newsletter), and Annual Reports. All our work is underpinned by a strong commitment to diversity, equity, and inclusion as articulated in our Action Plan that tracks progress towards key metrics. A core component of our engagement strategy is user research. User research ensures the Submission Portal, NMDC EDGE, Data Portal, and the new Field Notes mobile app are designed with and for the scientific community. Our user research efforts consist of asking researchers exploratory questions to collect information on researcher priorities, methodologies, and perceptions to ensure that we are aware of the current state of microbiome research. Our usability testing provides researchers with prototypes or test environments of the NMDC products, and we capture valuable information on how users interact with the products to make improvements. Given the diverse nature of microbiome work, we acknowledge that we are not aware of all pressing data challenges and thus rely on the research community to help us identify the most important issues to prioritize. To date, we have conducted 24 interviews and one beta-testing call with 10 participants across all NMDC products, which have generated 321 insights and 120 action items. Herein, we describe the ways we engage with the microbiome research community to advance the NMDC mission.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Performance Evaluation of Heterogeneous GPU Programming Frameworks for Hemodynamic Simulations

Preparing for the deployment of large scientific and engineering codes on upcoming exascale systems with GPU-dense nodes is made challenging by the unprecedented diversity of device architectures and heterogeneous programming models. In this work, we evaluate the process of porting a massively parallel, fluid dynamics code written in CUDA to SYCL, HIP, and Kokkos with a range of backends, using a combination of automated tools and manual tuning. We use a proxy application along with a custom performance model to inform the results and identify additional optimization strategies. At scale performance of the programming model implementations are evaluated on pre-production GPU node architectures for Frontier and Aurora, as well as on current NVIDIA device-based systems Summit and Polaris. Real-world workloads representing 3D blood flow calculations in complex vasculature are assessed. Our analysis highlights critical trade-offs between code performance, portability, and development time.

Martin, Aristotle↗

DOE OSTI2022

Continued Verification of MOOSE Structural Mechanics Tools for Modeling Core Bowing Phenomena in Fast Reactors

Under the U.S. Department of Energy Office of Nuclear Energy’s Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism whereby increased power (which leads to temperature and flux gradients) influences the core to bow into less reactive configurations when the restraint system is properly designed. The phenomenon includes a complex interplay of radiation transport, duct temperature calculations involving fluid flow and heat transfer, and thermo-mechanical responses to the induced temperature and flux gradients. Structural material properties are also important to determining inelastic response to longer term flux gradients which cause irradiation creep and swelling. While core bowing provides a strong negative reactivity feedback when the restraint system is designed properly, it also results in additional forces between assemblies which increase the loads required to extricate them during refueling or control rod movement. Therefore, the restraint system must be designed with these tradeoffs in mind. The first stage of the work, which commenced in FY21 and continues through FY22, assesses thermo-mechanical modeling tools for producing core bowing predictions consistent with conventional tools. The Multiphysics Object Oriented Simulation Environment (MOOSE) Tensor Mechanics and Contact Modules are employed. This status report describes work on additional thermo-mechanical benchmark verification problems with increased complexity from the examples demonstrated in FY21. Several benchmark verification examples were selected from the IAEA verification and validation report. These examples involve clusters of ducts representative of a sector of a hexagonal reactor core which bow into each other and cause contact and load pad elevations, as well as single ducts subjected to irradiation fields undergoing swelling and subsequent bowing. The MOOSE-based results were compared to both IAEA benchmark participants’ results, analytic equations as available, and NUBOW-3D, a beam model code developed by Argonne National Laboratory. In every case, the MOOSE results agreed with other simulations results, providing additional verification basis of the tools for this particular physics application.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2014

Modeling highway travel time distribution with conditional probability models

ABSTRACT Under the sponsorship of the Federal Highway Administration's Office of Freight Management and Operations, the American Transportation Research Institute (ATRI) has developed performance measures through the Freight Performance Measures (FPM) initiative. Under this program, travel speed information is derived from data collected using wireless based global positioning systems. These telemetric data systems are subscribed and used by trucking industry as an operations management tool. More than one telemetric operator submits their data dumps to ATRI on a regular basis. Each data transmission contains truck location, its travel time, and a clock time/date stamp. Data from the FPM program provides a unique opportunity for studying the upstream-downstream speed distributions at different locations, as well as different time of the day and day of the week. This research is focused on the stochastic nature of successive link travel speed data on the continental United States Interstates network. Specifically, a method to estimate route probability distributions of travel time is proposed. This method uses the concepts of convolution of probability distributions and bivariate, link-to-link, conditional probability to estimate the expected distributions for the route travel time. Major contribution of this study is the consideration of speed correlation between upstream and downstream contiguous Interstate segments through conditional probability. The established conditional probability distributions, between successive segments, can be used to provide travel time reliability measures. This study also suggests an adaptive method for calculating and updating route travel time distribution as new data or information is added. This methodology can be useful to estimate performance measures as required by the recent Moving Ahead for Progress in the 21st Century Act (MAP 21).

Oliveira Neto, Francisco Moraes↗

DOE OSTI2020

The cosmological bootstrap: weight-shifting operators and scalar seeds

A key insight of the bootstrap approach to cosmological correlations is the fact that all correlators of slow-roll inflation can be reduced to a unique building block - the four-point function of conformally coupled scalars, arising from the exchange of a massive scalar. Correlators corresponding to the exchange of particles with spin are then obtained by applying a spin-raising operator to the scalar-exchange solution. Similarly, the correlators of massless external fields can be derived by acting with a suitable weight-raising operator. In this paper, we present a systematic and highly streamlined derivation of these operators (and their generalizations) using tools of conformal field theory. Our results greatly simplify the theoretical foundations of the cosmological bootstrap program.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

We present the Python Materials Genomics (pymatgen) library, a robust, open-source Python library for materials analysis. A key enabler in high-throughput computational materials science efforts is a robust set of software tools to perform initial setup for the calculations (e.g., generation of structures and necessary input files) and post-calculation analysis to derive useful material properties from raw calculated data. The pymatgen library aims to meet these needs by (1) defining core Python objects for materials data representation, (2) providing a well-tested set of structure and thermodynamic analyses relevant to many applications, and (3) establishing an open platform for researchers to collaboratively develop sophisticated analyses of materials data obtained both from first principles calculations and experiments. The pymatgen library also provides convenient tools to obtain useful materials data via the Materials Project's REpresentational State Transfer (REST) Application Programming Interface (API). As an example, using pymatgen's interface to the Materials Project's RESTful API and phasediagram package, we demonstrate how the phase and electrochemical stability of a recently synthesized material, Li 4 SnS 4 , can be analyzed using a minimum of computing resources. Here, we find that Li 4 SnS 4 is a stable phase in the Li-Sn-S phase diagram (consistent with the fact that it can be synthesized), but the narrow range of lithium chemical potentials for which it is predicted to be stable would suggest that it is not intrinsically stable against typical electrodes used in lithium-ion batteries.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Scaling neural simulations in STACS

Abstract As modern neuroscience tools acquire more details about the brain, the need to move towards biological-scale neural simulations continues to grow. However, effective simulations at scale remain a challenge. Beyond just the tooling required to enable parallel execution, there is also the unique structure of the synaptic interconnectivity, which is globally sparse but has relatively high connection density and non-local interactions per neuron. There are also various practicalities to consider in high performance computing applications, such as the need for serializing neural networks to support potentially long-running simulations that require checkpoint-restart. Although acceleration on neuromorphic hardware is also a possibility, development in this space can be difficult as hardware support tends to vary between platforms and software support for larger scale models also tends to be limited. In this paper, we focus our attention on Simulation Tool for Asynchronous Cortical Streams (STACS), a spiking neural network simulator that leverages the Charm++ parallel programming framework, with the goal of supporting biological-scale simulations as well as interoperability between platforms. Central to these goals is the implementation of scalable data structures suitable for efficiently distributing a network across parallel partitions. Here, we discuss a straightforward extension of a parallel data format with a history of use in graph partitioners, which also serves as a portable intermediate representation for different neuromorphic backends. We perform scaling studies on the Summit supercomputer, examining the capabilities of STACS in terms of network build and storage, partitioning, and execution. We highlight how a suitably partitioned, spatially dependent synaptic structure introduces a communication workload well-suited to the multicast communication supported by Charm++. We evaluate the strong and weak scaling behavior for networks on the order of millions of neurons and billions of synapses, and show that STACS achieves competitive levels of parallel efficiency.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Solar Field Optical Characterization at Stillwater Geothermal/Solar Hybrid Plant

Concentrating solar power (CSP) can provide additional thermal energy to boost geothermal plant power generation. For a newly constructed solar field at a geothermal power plant site, it is critical to properly characterize its performance so that the prediction of thermal power generation can be derived to develop an optimum operating strategy for a hybrid system. In the past, laboratory characterization of a solar collector has often extended into the solar field performance model and has been used to predict the actual solar field performance, disregarding realistic impacting factors. In this work, an extensive measurement on mirror slope error and receiver position error has been performed in the field by using the optical characterization tool called Distant Observer (DO). Combining a solar reflectance sampling procedure, a newly developed solar characterization program called FirstOPTIC and public software for annual performance modeling called System Advisor Model (SAM), a comprehensive solar field optical characterization has been conducted, thus allowing for an informed prediction of solar field annual performance. The paper illustrates this detailed solar field optical characterization procedure and demonstrates how the results help to quantify an appropriate tracking-correction strategy to improve solar field performance. In particular, it is found that an appropriate tracking-offset algorithm can improve the solar field performance by about 15%. The work here provides a valuable reference for the growing CSP industry.

14 SOLAR ENERGY↗

DOE OSTI2013

Patient-specific QA and delivery verification of scanned ion beam at NIRS-HIMAC

Purpose: To evaluate a patient-specific QA program and system for constancy checking of a scanning delivery system developed at the National Institute of Radiological Sciences.Methods: For the patient-specific QA, all the planned beams are recalculated on a water phantom with treatment planning software (TPS). The recalculated dose distributions are compared with the measured distributions using a 2D ionization chamber array at several depths, and evaluated using gamma index analysis with criteria of 3% and 3 mm and a pass rate of 90%. For the constancy check, the authors developed the multiwire proportional chamber (MWPC), which can record the delivered 2D fluence images in a slice-by-slice manner. During irradiation for dosimetric QA with the 2D ionization chamber array and an accordion-type water phantom, the 2D fluence images are recorded using the MWPC in the delivery system. These recorded images are then compared to those taken in the treatment session to check the constancy check. This analysis also employs gamma index analysis using the same criteria as in the patient-specific QA. These patient-specific QA and constancy check evaluations were performed using the data of 122 patients.Results: In the patient-specific QA, the measured dose distributions agreed well with those calculated by the TPS, and the QA criteria were satisfied in all measurements. The additional check of the fluence comparison ensured the constancy of the delivered field during each treatment irradiation.Conclusions: The authors established a patient-specific QA program and additional check of delivery constancy in every treatment session. Fluence comparison is a strong tool for constancy checking of the delivery system.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2011

Mat2exo

MAT2EXO is a program which translates mesh data from Matlab mat-file format to Exodus II format. This tool is the inverse of the commonly used tool exo2mat which translates Exodus II data to the Matlab mat-file format. These tools provide a means for preprocessing an Exodus II model file or postprocessing an Exodus II results file using Matlab

Sjaardema, Gregory↗

DOE OSTI2011

Summary of Disposable Debris Shields (DDS) Analysis for Development of Solid Debris Collection at NIF

Collection of solid debris from the National Ignition Facility (NIF) is being developed both as a diagnostic tool and as a means for measuring nuclear reaction cross sections relevant to the Stockpile Stewardship Program and nuclear astrophysics. The concept is straightforward; following a NIF shot, the debris that is produced as a result of the capsule and hohlraum explosion would be collected and subsequently extracted from the chamber. The number of nuclear activations that occurred in the capsule would then be measured through a combination of radiation detection and radiochemical processing followed by mass spectrometry. Development of the catcher is challenging due to the complex environment of the NIF target chamber. The collector surface is first exposed to a large photon flux, followed by the debris wind that is produced. The material used in the catcher must be mechanically strong in order to withstand the large amount of energy it is exposed to, as well as be chemically compatible with the form and composition of the debris. In addition, the location of the catcher is equally important. If it is positioned too close to the center of the target chamber, it will be significantly ablated, which could interfere with the ability of the debris to reach the surface and stick. If it is too far away, the fraction of the debris cloud collected will be too small to result in a statistically significant measurement. Material, geometric configuration, and location must all be tested in order to design the optimal debris collection system for NIF. One of the first ideas regarding solid debris collection at NIF was to use the disposable debris shields (DDS), which are fielded over the final optics assemblies (FOA) 7 m away from the center of the target chamber. The DDS are meant to be replaced after a certain number of shots, and if the shields could be subsequently analyzed after removal, it would serve as a mechanism for fielding a relatively large collection area through the use of a part meant to be replaced regularly. The solid angle covered by one of the shields is roughly 10 -4 of 4π. If several shields were analyzed at once, it would increase the solid angle of the collection area accordingly. The glass shields consist of ammonia hardened silica with a sol gel coating and kapton tape around the edge. The square sheets are 14-inch on each side. The original shields were 1 mm thick, but it was determined that a thicker shield (3.3 mm) was more effective in preventing debris from reaching the FOA. The Solid Radchem group received two sets of DDS as part of our evaluation of the potential use of the DDS as solid debris collectors. The first set consisted of two 3.3 mm shields, one each from the top and bottom of the chamber (the '3mm set'). The second set consisted of four 1mm shields, one from the top of the chamber and the other three from the bottom (the 'IFSA set'). For each set, the shields were cut into smaller subsamples, which were then imaged using scanning electron microscopy (SEM) followed by chemical leaching and mass spectrometry. The purpose was to evaluate both the quantity and identity of the debris that was present on the DDS surfaces, and to determine if any of the capsule debris was reaching the chamber walls. In addition, potential enhancement due to gravity in the chamber was evaluated by directly comparing shields fielded in the top and bottom of the chamber. Based on the results, the use of the DDS as debris collectors would be evaluated. The results from both sets were presented to the DDS Working Group. The slides are attached to this document. The 3mm set results are presented first, followed by the results from the IFSA set. In both cases it was determined that a small fraction of the overall debris field was collected on the DDS. This means that the debris that is formed during a NIF shot is condensing out of the plasma and depositing on surfaces closer to the target chamber center, or else it is simply falling to the bottom of the chamber. In either case, it was determined that using the DDS, or fielding a debris collector at the chamber wall, was not feasible for solid debris collection at NIF due to the small amount of debris that had been collected. In addition, since the glass shields suffered quite a bit of damage from particles impacting the surface, glass was ruled out as a collection medium.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2013

Coordinated Fault Tolerance for High-Performance Computing

Our work to meet our goal of end-to-end fault tolerance has focused on two areas: (1) improving fault tolerance in various software currently available and widely used throughout the HEC domain and (2) using fault information exchange and coordination to achieve holistic, systemwide fault tolerance and understanding how to design and implement interfaces for integrating fault tolerance features for multiple layers of the software stack—from the application, math libraries, and programming language runtime to other common system software such as jobs schedulers, resource managers, and monitoring tools.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Award ER25750: Coordinated Infrastructure for Fault Tolerance Systems Indiana University Final Report

The main purpose of the Coordinated Infrastructure for Fault Tolerance in Systems initiative has been to conduct research with a goal of providing end-to-end fault tolerance on a systemwide basis for applications and other system software. While fault tolerance has been an integral part of most high-performance computing (HPC) system software developed over the past decade, it has been treated mostly as a collection of isolated stovepipes. Visibility and response to faults has typically been limited to the particular hardware and software subsystems in which they are initially observed. Little fault information is shared across subsystems, allowing little flexibility or control on a system-wide basis, making it practically impossible to provide cohesive end-to-end fault tolerance in support of scientific applications. As an example, consider faults such as communication link failures that can be seen by a network library but are not directly visible to the job scheduler, or consider faults related to node failures that can be detected by system monitoring software but are not inherently visible to the resource manager. If information about such faults could be shared by the network libraries or monitoring software, then other system software, such as a resource manager or job scheduler, could ensure that failed nodes or failed network links were excluded from further job allocations and that further diagnosis could be performed. As a founding member and one of the lead developers of the Open MPI project, our efforts over the course of this project have been focused on making Open MPI more robust to failures by supporting various fault tolerance techniques, and using fault information exchange and coordination between MPI and the HPC system software stack from the application, numeric libraries, and programming language runtime to other common system components such as jobs schedulers, resource managers, and monitoring tools.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Optimization of a Virtual Power Plant to Provide Frequency Support.

Increasing the penetration of distributed renewable sources, including photovoltaic (PV) sources, poses technical challenges for grid management. The grid has been optimized over decades to rely upon large centralized power plants with well-established feedback controls, but now non-dispatchable, renewable sources are displacing these controllable generators. This one-year study was funded by the Department of Energy (DOE) SunShot program and is intended to better utilize those variable resources by providing electric utilities with the tools to implement frequency regulation and primary frequency reserves using aggregated renewable resources, known as a virtual power plant. The goal is to eventually enable the integration of 100s of Gigawatts into US power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

Validation of Tendril TrueHome Using Software-to-Software Comparison

This study performed comparative evaluation of EnergyPlus version 8.6 and Tendril TrueHome, two physics-based home energy simulation models, to identify differences in energy consumption predictions between the two programs and resolve discrepancies between them. EnergyPlus is considered a benchmark, best-in-class software tool for building energy simulation. This exercise sought to improve both software tools through additional evaluation/scrutiny.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Advanced Research Projects Agency - Energy Annual Report for FY 2015

This report presents a summary of the activities of the Advanced Research Projects Agency-Energy (ARPA-E) during Fiscal Year 2015 (FY 2015). In FY 20151, ARPA-E selected projects for nine new programs covering a broad array of energy technologies, including: 30 million dollars for low-cost tools to aid in the future development of fusion power (ALPHA); 30 million dollars for new power plant cooling technologies that enable high thermal-to-electric energy conversion efficiency with zero net water dissipation to the atmosphere (ARID); 6 million dollars for validation of the performance of ARPA-E-funded grid-storage technologies (CHARGES); 30 million dollars for systems for localized thermal management to improve building efficiency (DELTA); 25 million dollars for development of generator technologies to enable more affordable and efficient residential Combined Heat and Power (CHP) systems (GENSETS); 30 million dollars for low-cost, highly sensitive systems to detect methane emissions (MONITOR); 24 million dollars for micro-scale concentrated photovoltaic systems (MOSAIC); 30 million dollars to integrate agriculture, information technology and engineering to develop crops that are sustainable, affordable and yield abundant plant feedstocks for bioenergy (TERRA); 14.5 million dollars for systems to identify less energy-intense travel options for users using software accessible on smartphones or other communications devices (TRANSNET).

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2019

Linking the Codependence of Grain Boundary Structure and Density to Defect Evolution Mechanisms during Radiation Damage

There is little understanding of the direct link between grain boundary character and density, and defect denuded zones. For example, the role of reduced grain size to the nanocrystalline regime and subsequent increase in grain boundary density is not fully understood in the context of dislocation or void behavior near grain boundaries. In addition, little is understood experimentally on how defect absorption changes the structure of the grain boundary during irradiation and may play a role in the migration of defects and solutes. This work aims to define a framework for understanding the origin of radiation damage mechanisms in model BCC and FCC nanocrystalline materials, on which a foundation of radiation tolerant material development can be built. The key questions that will be addressed by this work are: 1. What is the influence of GB density and GB character (GBC) on radiation damage accumulation near grain boundaries in model nanocrystalline FCC and BCC alloys; how are these two effects connected? 2. In the context of radiation induced segregation (RIS), what effect does species dependent interstitial diffusion have on the GB chemistry in light of these two dependencies? 3. How does grain boundary sink efficiency evolve with radiation over time? In situ and analytical transmission electron microscopy techniques are used to study both pure and alloy nanocrystalline materials under irradiation. TEM samples prepared from thin films will be irradiated in-situ, allowing for dynamic observation of the behavior of the alloy under ion irradiation. The key findings from this program were (1) the control of thin film texture via sputtering; (2) the development of characterization tools for defects and grain boundary quantification; (3) the development of new techniques for defect characterization toward high throughput analysis; (4) a mapped out parameter space for defect evolution as a function of grain size and grain boundary character; and finally (5) an indication of sink efficiency and its stability during irradiation.

36 MATERIALS SCIENCE↗