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DOE OSTI2021

Lightweight, strong, moldable wood via cell wall engineering as a sustainable structural material

Turning wood into honeycombs Wood is an attractive material for structural applications, but it usually works best as boards or sheets. Xiao et al . have developed a process for engineering hardwood that allows these sheets to be manipulated into complex structures (see the Perspective by Tajvidi and Gardner). The key is to manipulate the cell wall structure by shrinking and blasting open the fibers and vessels by drying and “water-shocking” them. This process creates a window wherein the wood can be manipulated without ripping or tearing. Honeycomb, corrugated, or other complex structures are locked in once the wood dries. —BG

Science & Technology - Other Topics↗

DOE OSTI2025

A 1-year study on SARS-CoV-2 variant shifts in wastewater using dPCR: comparison with clinical and GISAID data

Wastewater testing can be used to monitor SARS-CoV-2 infections in communities. Data from PCR-based wastewater testing are usually available to public health authorities within 5–7 days after excreta and other body fluids enter the sewer. While PCR-based methods can accurately detect and quantify SARS-CoV-2, sequencing-based methods are usually required to distinguish between variants, delaying the results and adding cost to the process. We developed and assessed a novel, customizable digital PCR (dPCR)-based genotyping method for SARS-CoV-2 variant detection in wastewater, which is more cost-effective, faster, and more accessible than sequencing. This approach was applied to more than 1,400 wastewater samples

Wilton, Rose↗

DOE OSTI2024

Quantifying Uncertainty in HPC Job Queue Time Predictions

High Performance Computing (HPC) has developed at an unprecedented pace in recent decades. This growth has demanded corresponding development in the area of HPC Operational Data Analytics (ODA), which encompasses a wide range of data analysis techniques, ML/AI efforts, tools, and visualizations. Published studies in ODA offer a variety of practical ways to inform HPC users, administrators, procurement managers, and other stakeholders. Uncertainty analysis, however, is rare in the related published literature. For instance, we identify only 1 out of 14 existing studies focused on job queue time prediction that investigates the uncertainty aspect of their proposed predictions. We recognize the utmost importance uncertainty quantification can have in such predictive analytics solutions, with consequences in how users interpret information they receive, and attempt to bridge this gap. With the goal of improving access to such insights, we develop a process for determining upper and lower bounds of the predicted queue times of a regression model at a specified confidence level. Our current research is focused on the uncertainty in predicting job queue times, yet our approach may be employed in predicting other metrics.

HPC↗

DOE OSTI2026

Experimental Benchmarking for High-Reproducibility, Cross-Institutional Evaluation of Iron Redox Electrochemistry

We present a practical case study standardizing experimental protocols between collaborators with the goal of understanding ferrous iron (Fe 2+ ) chemistry and improving the iron deposition reaction for energy-efficient, electrochemical iron production. The study of iron reactions can be difficult, as aqueous iron electrolytes exhibit complex behaviors that can lead to differing interpretation of ostensibly similar experiments. The question we want to answer: are we studying the same chemistry? Our protocols address inherent challenges such as the tendency for Fe 2+ to spontaneously oxidize to ferric iron (Fe 3+ ) and the production of hydrogen at the potentials of interest. Our standardized protocol, executed by four collaborators in different labs and institutions, yields high-reproducibility results, and identified glassy carbon electrode surface quality and Fe 3+ impurities in the salt as key factors with outsized effects on cyclic voltammetry measurements. The process of developing the protocols helped to troubleshoot underlying issues that created poorer reversibility and reproducibility. This study highlights the fact that even nominally straightforward electrochemical systems can yield vastly different outcomes due to small differences in experimental preparation and serves as a useful example for creating transparent and achievable standards for the generation of reliable datasets that can be widely used and shared.

Ketter, Benjamin [Argonne National Laboratory (ANL↗

DOE OSTI2020

Exploit, Malware And Vulnerability Scoring Application

Exploit, Malware and Vulnerability (EMV) is a way for users to create and use their own scoring schema against various configurations they might be scoring cyber issues against. This application was created to take the EMV process and develop a GUI to accomplish this task. EMV application is customizable and configurable, interfaces with STIX objects and allows exporting scored objects.

Priest, ZacharyM↗

DOE OSTI2021

ZTF_image_classification

This repo demonstrates how to use the LLNL developed Gaussian process hyperparameter estimation method, MuyGPS, for image classification using Zwicky Transient Facility (ZTF) data.

Pruett, Kerianne↗

DOE OSTI2025

Fully Bayesian Analysis With Model Inadequacy Correction For Nuclear Graphite Property Models With Hierarchical Variance Structure

Nuclear-grade graphites are extensively utilized in the core designs of various advanced nuclear reactors. Within the reactor environment, graphite is subjected to prolonged exposure to extreme conditions, including high temperatures, radiation, and potentially molten salt and oxygen. Such exposure can induce several degradation mechanisms in graphite, such as nonuniform volumetric strains caused by irradiation and thermal expansion, leading to stresses that may compromise the performance of graphite components. Assessing component integrity, forecasting component performance over the reactor's lifespan, and developing design standards necessitate robust tools for predicting fracture initiation and propagation in graphite structural components within nuclear reactors. This code enables the Bayesian calibration of properties for nuclear-grade graphites. Using a hierarchical Bayesian approach, multiple experimental data sources are combined to develop Gaussian process models for the properties. Using the Kennedy O'Hagan framework, the uncertainties due inadequacies in the model and the inherent spread in the experimental data are quantified.

Dhulipala, Som Lakshmi NarasimhaLakshmi Narasimha ↗

DOE OSTI2021

Multiscale characterization and representation of variability in ceramic matrix composites

Low density, high strength, and high creep and oxidation resistance properties of ceramic matrix composites (CMCs) make them an ideal choice for use in extreme environments in space and military applications. This paper presents a detailed characterization study of structural and manufacturing flaws in Carbon fiber Silicon-Carbide-Nitride matrix (C/SiNC) CMCs at different length-scales. Energy-dispersive spectroscopy (EDS) is used for the chemical characterization of the material’s elemental constituents. High-resolution multiscale graphs obtained from scanning electron microscope (SEM) and confocal laser scanning microscope (LSM) are used to characterize the distribution and morphology of defects at different length scales. This is followed by the classification and quantification of the common manufacturing defects. An image processing algorithm based on the image segmentation process is developed to quantify the variability of various scale-dependent architectural parameters. Finally, a three-dimensional stochastic representative volume element (SRVE) generation algorithm is developed to provide precise representations of material textures at multiple length scales. The developed algorithm accurately accounts for material features and flaws based on a range of multiscale structural and defects characterization results.

36 MATERIALS SCIENCE↗

DOE OSTI2026

From 2D to 4D: a containerized workflow and browser to explore dynamic chromatin architecture

Background Characterizing the physical organization of the genome is essential for understanding long-range gene regulation, chromatin compartmentalization, and epigenetic accessibility. Hi-C experiments generate two-dimensional (2D) genome-wide contact maps of chromatin interactions by capturing the spatial proximity between genomic loci, which reveal interaction frequencies but lack the spatial resolution needed to interpret the three-dimensional (3D) genome structure(s). Emerging evidence suggests that epigenetic regulation is closely linked to 3D genome architecture, and that structural changes over time (4D) drive key biological processes in development, disease, and environmental response. Thus, integrating 3D structure with functional data is critical for a more complete understanding of genome regulation. Previous work, most notably the 4DHiC chromosome modeling framework, has shown that physical multi-dimensional modeling approaches rooted in polymer physics and molecular dynamics can resolve these structures at biologically meaningful resolutions by integrating temporal Hi-C data with physical constraints to uncover dynamic chromosome reorganization. Thus, molecular dynamics simulations, constrained by Hi-C contact matrices, can resolve fine-scale structural changes and reveal functionally significant transitions in chromatin conformation. Results Herein, we present the 4D Genome Browser Workflow (4DGBWorkflow) and the 4D Genome Browser (4DGB). The algorithm is based on the 4DHiC method, and the containerized tool is an end-to-end workflow that can transform, filter, and view 4D epigenomics and chromatin datasets, allowing non-specialists to apply three-dimensional modeling principles to diverse datasets and experimental conditions. The software executes on a laptop running macOS, Linux or Windows. From input Hi-C files (.hic), the 4DGBWorkflow produces 3D reconstructions of chromosomes, integrates the reconstruction with track data (e.g., epigenetic marks, transcriptome profiles), and provides comparative visualization of the results in a single workflow. Conclusions The 4DGBWorkflow and 4D Genome Browser are open-source tools for comparative analysis and visualization of 4D chromosome datasets, including chromatin architecture and epigenomic signals. Automatic integration of Hi-C data with molecular dynamics democratizes the construction of time resolved 3D genome structures, simplifying complex simulations and data integration schemes.

3D Genome Browser↗

DOE OSTI2022

Improving Dose-Optimization Processes Used in Oncology Drug Development to Minimize Toxicity and Maximize Benefit to Patients

This review highlights strategies to integrate dose optimization into premarketing drug development and discusses the underlying statistical principles. Poor dose optimization can have negative consequences for patients, most commonly because of toxicity, including poor quality of life, reduced effectiveness because of inability of patients to stay on current therapy or receive subsequent therapy because of toxicities, and difficulty in developing combination regimens. We reviewed US Food and Drug Administration initial approvals (2019-2021) of small molecules and antibody-drug conjugates for oncologic indications to determine the proportion with a recommended dosage at the maximum tolerated dose or the maximal administered dose, to characterize the use of randomized evaluations of multiple dosages in dose selection, to describe the frequency of dose modifications at the recommended dosage, and to identify case examples that highlight key principles for premarket dose optimization during drug development. Herein, we highlight major principles for dose optimization and review examples of recent US Food and Drug Administration approvals that illustrate how investigation of dose- and exposure-response relationships and use of randomized dose trials can support dose optimization. Although there has been some progress, dose optimization through randomized dose evaluation in oncology trials is not routinely conducted. Dose optimization is essential to ensure that patients receive therapies which maximize efficacy while minimizing toxicity.

Oncology↗

DOE OSTI2022

Current Status of the DOE/NNSA Nuclear Criticality Safety Program Hands-on Criticality Safety Training Courses

In 2011, the US Department of Energy/National Nuclear Security Administration (DOE/NNSA) Nuclear Criticality Safety Program (NCSP) developed and piloted a 2-week nuclear criticality safety (NCS) practitioner course to support training and qualification of new NCS staff. The course was developed in accordance with the American National Standard Institute/American Nuclear Society (ANSI/ANS) standard for NCS training and qualifications (ANSI/ANS-8.26-2007). In 2013, an NCS manager’s course was developed for process supervisors, managers, regulators, and other professionals with NCS-related responsibilities. These courses consist of classroom education, facility training, and hands-on subcritical and critical experiments training. Each course is currently offered twice per year. The 2-week practitioner course offers a week of classroom training, with practical workshops and exercises focused on teaching students how to perform an NCS evaluation. The second week of training involves hands-on critical and subcritical experiments and measurements. The first week is offered in Las Vegas, Nevada, at the DOE Nevada Field Office or the National Atomic Testing Museum. Depending on the student’s clearance level, the second week is offered at Sandia National Laboratory (SNL) (uncleared and L-cleared students) or at the National Criticality Experiments Research Center (NCERC) (Q-cleared students). The 1-week manager’s course is offered at SNL or NCERC, depending on clearance or interest, and includes classroom and hands-on critical and subcritical experiments and measurements. This paper provides an overview and status report for the DOE/NNSA NCSP training courses in NCS and provides information about future course offerings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

AlSb as a material for high index contrast nanophotonics

High contrast materials, i.e., materials with a high refractive index and low optical loss, are of wide interest for nanophotonics and metasurface designs at optical and near infrared wavelengths. We explore aluminum antimonide (AlSb) as a high contrast nanophotonic material, using the design of high contrast gratings (HCGs) for low loss dielectric mirrors as an example. The high index of refraction and low absorption coefficient of AlSb in the visible wavelength range enable designs of HCGs that can be effectively optimized to form mirrors with 93.5% reflectivity at red visible wavelengths. We detail a co-sputtering synthesis method for AlSb films, and achieve our target high index of refraction of 3.5 for 635 nm light. We also find that the high sensitivity of AlSb oxidation requires specific handling procedures in developing deposition processes to yield a near zero absorption coefficient.

Bauser, Haley C.↗

DOE OSTI2023

A Multimodal Event Catalog and Waveform Data Set That Supports Explosion Monitoring from Nevada, U.S.A.

Multimodal, curated data sets and nuisance event catalogs remain rare in the explosion monitoring community relative to curated seismic data sets. The source of this relative absence is the difficultly in deploying multimodal receivers that sense the seismic, acoustic, and other modalities from multiphysics sources. We provide such a data set in this study that delivers seismic, infrasound, and electromagnetic (magnetometer) sensor records collected over a two–week period, within 255 km of a 10 ton buried chemical explosion called DAG–4 that was located at 37.1146°, –116.0693° on 22 June 2019 21:06:19.88 UTC. This catalog includes 485 seismic, seismoacoustic, and infrasound–only events that an expert analyst manually built by reviewing waveforms from 29 seismic and infrasound sensors. Our data release includes waveforms from these 29 seismic, infrasound, and seismoacoustic stations and two magnetometer stations and their station metadata. We deliver these waveforms in NNSA KB Core CSS.w format (i4) with a corresponding wfdisc table that provides the header information. Here, we expect that this data set will provide a valuable, benchmark resource to develop signal processing algorithms and explosion monitoring methods against manual, human observations.

58 GEOSCIENCES↗

DOE OSTI2020

Recovery and Calibration of Legacy Underground Nuclear Test Seismic Data from the Leo Brady Seismic Network

The Leo Brady Seismic Network (LBSN, originally the Sandia Seismic Network) was established in 1960 by Sandia National Laboratories to monitor underground nuclear tests (UGTs) at the Nevada National Security Site (NNSS, formerly named the Nevada Test Site). The LBSN has been in various configurations throughout its existence, but it has generally been comprised of four to six stations at regional distances (~150–400 km) from the NNSS with approximately evenly spaced azimuthal coverage. Between 1962 and the end of nuclear testing in 1992, the LBSN—and a sister network operated by Lawrence Livermore National Laboratories—was the most comprehensive United States source of regional seismic data of UGTs. Approximately 75% of all UGTs performed by the United States occurred in the predigital era. At that time, LBSN data were transmitted as frequency-modulated (FM) audio over telephone lines to a central location and recorded as analog waveforms on high-fidelity magnetic audio tapes. These tapes have been in dry temperature-stable storage for decades and contain the sole record of this irreplaceable data; full waveforms of LBSN-recorded UGTs from this era were not routinely digitized or otherwise published. We have developed a process to recover and calibrate data from these tapes. First, we play back and digitize the tapes as audio. Next, we demodulate the FM “audio” into individual waveforms. We then estimate the various instrument constants through careful measurement of “weight-lift” tests performed prior to each UGT on each instrument. Finally, these coefficients allow us to scale and shape the derived instrument response of the seismographs and compute poles and zeros. Finally, the result of this process is a digital record of the recorded seismic ground motion in a modern data format, stored in a searchable database. To date, we have digitized tapes from 592 UGTs.

58 GEOSCIENCES↗

DOE OSTI2023

What is needed for BISCO to work in a dipole insert for 20 tesla hybrid accelerator magnets

Developing HTS dipole inserts producing fields larger than 5 T within 15 T Nb3Sn outserts is necessary to generate 20 T or higher fields for future high energy colliders. Dipole inserts based on the cos-theta coil geometry with various stress management concepts and Bi2212 super-conducting strand and cable are being developed at Fermilab both within and beyond the U.S. national effort. On paper, the potential reach for the maximum magnetic field in existing or planned Nb3Sn outserts is close to 20 T, thanks to the progress realized in Bi2212 wires’ critical current density. To achieve the Bi2212 potential in accelerator magnets, however, a number of technological challenges still have to be faced. These for instance include the need to design billets that are adequate for Rutherford cabling; developing insulation processes and materials that prevent leaks, which reduce transport current and increase the risk of shorts; control and limit Bi2212 coils’ stresses and strains; reconsider the Split Melt Process (SMP) to lower costs and simplify the processing. This paper reviews Bi2212 conductor properties and coil technolo-gies, and proposes new ideas to face the challenges that Bi2212 still presents as an accelerator magnet conductor.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Nonproliferation Legacy Technology and Artifact Collection: NASA Space Shuttle Tiles

The NASA Space Shuttle Tiles were used by Sandia in the process of developing the Laser Dynamic Range Imager (LDRI) in support of NASA's Return to Flight following the 2003 Space Shuttle Columbia disaster. The heat shield tiles, provided to Sandia by NASA, are identical to those that were located on the underbelly of the Space Shuttle Columbia's orbiter. Sandia used the tiles to test the efficacy of the LDRI's imaging capabilities. The LDRI was utilized during every space shuttle mission between 2005 and 2011. The tiles are currently located in Building 891 and need to be moved to free up space for operational use. Given their technical significance, Sandia would like to archive them as historically significant items in long-term storage until such time as they can be appropriately displayed or employed as a demonstration artifact. This document provides basic information about the provenance of this artifact.

42 ENGINEERING↗

DOE OSTI2020

HPC4Mobilty w/ UCB

The purpose of this project is to examine the energy impact of urban-scale traffic for the Los Angeles Basin by developing and implementing a scalable traffic assignment model. An energy optimization function will be posed and when integrated into the optimization code for travel assignment it can be mathematically proven to converge. The energy optimization function can then be compared to the typical travel time optimization that is traditionally used in traffic assignment models. The analysis will begin with static traffic assignment models with the routing for all origin and destinations computed in parallel on high performance computing facilities. Convergence of the numerical methods rely on the solution of convex programs (or extensions of these). This step will mostly consist of demonstrating the ability to parallelize the Frank Wolfe algorithm on various platforms. This work will contribute to LBNL’s efforts to develop new processes, analytical tools, program designs, and business models to advance the state of the art in next-generation sustainable transportation solutions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Development of Perovskite (PVSK) Technology Related to Solar Cell Manufacturing Equipment (CRADA CRD-18-733 Final Report)

This CRADA between Energy Everywhere and NREL is to develop a process to fabricate flexible photovoltaic modules using a solution coated PVSK absorber with interlayers comprising materials deposited by economically feasible methods. Energy Everywhere™ will replicate and scale this process in Berkeley, California where it will ultimately commercialize the process, fabrication equipment, and PV modules.

14 SOLAR ENERGY↗