Resource Team Annual Report FY23
This report outlines the accomplishment of the Resource Team program in FY23, and discusses closeout of the program following this FY
99 GENERAL AND MISCELLANEOUS↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Assembling an Effective Team for Renewable Generation and Storage Projects
On-site renewable generation and storage systems have piqued the interest of facility owners to substantially reduce their energy costs and environmental footprint. Assembling an effective team before the project begins can streamline the implementation of these systems and ensure that the design, installation, and operation of the system are well aligned with the needs of the facility owner. To inform this process, this resource will provide three specific guidelines: Guideline 1: Identify common skillsets in renewable energy and storage projects; Guideline 2: Decide who will fill these skillsets, internally and externally; and Guideline 3: Recognize additional project considerations to ensure cost-effectiveness, increased resiliency, and contribution to both electrification and decarbonization goals.
ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗
Modeling Protein–Protein and Protein–Ligand Interactions by the ClusPro Team in CASP16
ABSTRACT In the CASP16 experiment, our team employed hybrid computational strategies to predict both protein–protein and protein–ligand complex structures. For protein–protein docking, we combined physics‐based sampling—using ClusPro FFT docking and molecular dynamics—with AlphaFold (AF)‐based sampling, followed by AF‐based refinement. Our method produced numerous high‐accuracy complex models, including cases where AF alone failed, underscoring the critical role of physics‐based sampling alongside deep learning‐based refinement. For protein–ligand docking, we integrated the ClusPro LigTBM template‐based approach with a machine learning‐based confidence model for rescoring. The method preserves conserved interaction fragments derived from homologous complexes, followed by local resampling using physics‐based sampling and a diffusion model. Our template‐based strategy achieved a mean lDDT‐PLI of 0.69 across 233 targets, which was highly competitive. These results demonstrate that combining physics‐based modeling with AI‐driven refinement can significantly enhance the accuracy of both protein–protein and protein–ligand structure predictions.
Ashizawa, Ryota [Department of Applied Mathematics↗
Sandia Fracture Challenge 3: detailing the Sandia Team Q failure prediction strategy
The third Sandia Fracture Challenge illustrated the geometric and material uncertainties presented by modern additive manufacturing techniques. Tasked with the challenge of predicting failure of a complex additively-manufactured geometry made of 316L stainless steel, we combined a rigorous material calibration scheme with a number of statistical assessments of problem uncertainties. Particularly, we used optimization techniques to calibrate a rate-dependent and anisotropic Hill plasticity model to represent material deformation coupled with a damage model driven by void growth and nucleation. Through targeted simulation studies we assessed the influence of internal voids and surface flaws on the specimens of interest in the challenge which guided our material modeling choices. Employing the Kolmogorov–Smirnov test statistic, we developed a representative suite of simulations to account for the geometric variability of test specimens and the variability introduced by material parameter uncertainty. This method allowed the team to successfully predict the failure mode of the experimental test population as well as the global response with a high degree of accuracy.
316L stainless steel↗
Multidisciplinary Team Contributions Within a Dedicated Outpatient Palliative Radiotherapy Clinic: A Prospective Descriptive Study
Purpose: Patients with bone metastases may experience pain, fatigue, and decreased mobility. Multiple medications for analgesia are often required, each with attendant side effects. Although palliative-intent radiotherapy (RT) is effective in decreasing pain, additional supportive care interventions may be overlooked. Our objective was to describe the feasibility of multidisciplinary assessment of patients with symptomatic bone metastases attending a dedicated outpatient palliative RT clinic. Methods and Materials: Consecutive patients referred for RT for painful bone metastases were screened for symptoms and needs relevant to their medications, nutritional intake, activities of daily living, and psychosocial and spiritual concerns from January 1 to December 31, 2007. Consultations by appropriate team members and resulting recommendations were collected prospectively. Patients who received RT were contacted by telephone 4 weeks later to assess symptom outcomes. Results: A total of 106 clinic visits by 82 individual patients occurred. As determined by screening form responses, the clinical Pharmacist, Occupational Therapist, Registered Dietician and Social Worker were consulted to provide assessments and recommendations within the time constraints presented by 1-day palliative RT delivery. In addition to pain relief, significant improvements in tiredness, depression, anxiety, drowsiness and overall well-being were reported at 4 weeks. Conclusions: Systematic screening of this population revealed previously unmet needs, addressed in the form of custom verbal and written recommendations. Multidisciplinary assessment is associated with a high number of recommendations and decreased symptom distress. Our findings lend strong support to the routine assessment by multiple supportive care professionals for patients with advanced cancer being considered for palliative RT.
62 RADIOLOGY AND NUCLEAR MEDICINE↗
Building a Culture of Safety and Trust in Team Science
An Arctic research team of 150 members that implemented a culture of safety, inclusion, and trust as the foundation for cross-disciplinary science shares lessons from its experiences.
54 ENVIRONMENTAL SCIENCES↗
THE TEAM KECK REDSHIFT SURVEY 2: MOSFIRE SPECTROSCOPY OF THE GOODS-NORTH FIELD
We present the Team Keck Redshift Survey 2 (TKRS2), a near-infrared spectral observing program targeting selected galaxies within the CANDELS subsection of the GOODS-North Field. The TKRS2 program exploits the unique capabilities of the Multi-Object Spectrometer For Infra-Red Exploration (MOSFIRE), which entered service on the Keck I telescope in 2012 and contributes substantially to the study of galaxy spectral features at redshifts inaccessible to optical spectrographs. The TKRS2 project targets 97 galaxies drawn from samples that include z ≈ 2 emission-line galaxies with features observable in the JHK bands as well as lower-redshift targets with features in the Y band. We present a detailed measurement of MOSFIRE’s sensitivity as a function of wavelength, including the effects of telluric features across the YJHK filters. The largest utility of our survey is in providing rest-frame-optical emission lines for z > 1 galaxies, and we demonstrate that the ratios of strong, optical emission lines of z ≈ 2 galaxies suggest the presence of either higher N/O abundances than are found in z ≈ 0 galaxies or low-metallicity gas ionized by an active galactic nucleus. We have released all TKRS2 data products into the public domain to allow researchers access to representative raw and reduced MOSFIRE spectra.
79 ASTRONOMY AND ASTROPHYSICS↗
THE MILLIMETER ASTRONOMY LEGACY TEAM 90 GHz (MALT90) PILOT SURVEY
We describe a pilot survey conducted with the Mopra 22 m radio telescope in preparation for the Millimeter Astronomy Legacy Team Survey at 90 GHz (MALT90). We identified 182 candidate dense molecular clumps using six different selection criteria and mapped each source simultaneously in 16 different lines near 90 GHz. We present a summary of the data and describe how the results of the pilot survey shaped the design of the larger MALT90 survey. We motivate our selection of target sources for the main survey based on the pilot detection rates and demonstrate the value of mapping in multiple lines simultaneously at high spectral resolution.
79 ASTRONOMY AND ASTROPHYSICS↗
Functional team selection as a framework for local adaptation in plants and their belowground microbiomes
Abstract Multicellular organisms are hosts to diverse communities of smaller organisms known as microbiomes. Plants have distinctive microbiomes that can provide important functions related to nutrition, defense, and stress tolerance. Empirical studies provide convincing evidence that in some—but not all—circumstances, belowground microbiomes help plants adapt to their local environment. The purpose of this review is to develop functional team selection (FTS) as a framework to help predict the conditions necessary for root microbiomes to generate local adaptation for their plant hosts. FTS envisions plants and their microbiomes as complex adaptive systems, and plant adaptations as emergent properties of these systems. If plants have the capacity to recognize and cultivate beneficial microbes and suppress pathogens, then it is possible for plants to evolve the capacity to gain adaptations by curating their microbiome. In resource-limited and stressful environments, the emergent functions of complex microbial systems may contribute to positive feedback linked to plant vigor, and ultimately, local adaptation. The key factors in this process are: (i) selective force, (ii) host constitution, (iii) microbial diversity, and (iv) time. There is increasing interest in harnessing beneficial microbial interactions in agriculture and many microbial growth-promoting products are commercially available, but their use is controversial because a large proportion of these products fail to consistently enhance plant growth. The FTS framework may help direct the development of durable plant-microbiome systems that enhance crop production and diminish pathogens. It may also provide valuable insights for understanding and managing other kinds of host-microbe systems.
Environmental Sciences & Ecology↗
An Approximation Algorithm for a Task Allocation, Sequencing and Scheduling Problem Involving a Human-Robot Team
Here we present an approximation algorithm for a Task Allocation, Sequencing and Scheduling Problem (TASSP) involving a team of human operators and robots. The robots have to travel to a given set of targets and collaboratively work on the tasks at the targets with the human operators. The problem aims to find a sequence of targets for each robot to visit and schedule the tasks at the targets with the human operators such that each target is visited exactly once by some robot, the scheduling constraints are satisfied and the maximum mission time of any robot is minimum. This problem is a generalization of the single Traveling Salesman Problem and is NP-Hard. Given k robots and m human operators, an algorithm is developed for solving the TASSP with an approximation ratio equal to 5/2- 1/k when m ≥ k and equal to 7/2 -1/k otherwise. Computational results are also presented to corroborate the performance of the proposed algorithm.
42 ENGINEERING↗
Tundra Trait Team: A database of plant traits spanning the tundra biome
Motivation: The Tundra Trait Team (TTT) database includes field-based measurements of key traits related to plant form and function at multiple sites across the tundra biome. This dataset can be used to address theoretical questions about plant strategy and trade-offs, trait-environment relationships and environmental filtering, and trait variation across spatial scales, to validate satellite data, and to inform earth system model parameters. Main types of variable contained: The database contains 81,537 measurements of 18 plant traits. The most frequently measured traits (>1,000 observations each) include plant height, leaf area, specific leaf area, leaf fresh and dry mass, leaf dry matter content, leaf nitrogen content, leaf carbon content, leaf phosphorus content, seed mass, and stem specific density. Spatial location and grain: Measurements were collected in tundra habitats in both the northern and southern hemispheres, including Arctic sites in Alaska, Canada, Greenland, Fennoscandia, and Siberia and alpine sites in the European Alps, Colorado Rockies, Caucasus, Ural Mountains, Pyrenees, Australian Alps, and Central Otago Mountains (New Zealand). More than 99% of observations are georeferenced. Time period and grain: All data were collected between 1964 and 2016. A small number of sites have repeated trait measurements at two or more time periods. Major taxa and level of measurement: Trait measurements were made on 858 terrestrial vascular plant species growing in tundra habitats. Most observations are on individuals (87%), while a small number represent plot or site means or maximums per species. Software format: csv file and GitHub repository with data cleaning scripts in R; contribution to TRY plant trait database (www.try-db.org) to be included in the next version release.
59 BASIC BIOLOGICAL SCIENCES↗
HUMAN-ARTIFICIAL INTELLIGENCE TEAMING FOR THE U.S. NAVY: DEVELOPING A HOLISTIC RESEARCH ROADMAP
With the ever-increasing deluge of data and demand for warfighters to make decisions upon its analysis, U.S. defense strategy has prioritized the development of artificial intelligence (AI)/machine learning (ML) systems that can analyze multi-source data streams and suggest courses of action. However, there is a history of systems that have failed to be adopted by the warfighter due not only to unsolved technical challenges, but also a lack of usability or contributions to mission effectiveness, perceived or otherwise. To avoid this, research into human-AI teaming shows promise for developing AI systems that work with frontline operators. A recent National Academies of Sciences, Engineering, and Medicine report (NASEM, 2022) presented 57 research objectives in this area; however, the U.S. Navy requires a more-focused set of priorities, as it is impossible to tackle every priority. A workshop involving 23 human factors scientists, computer scientists, and active-duty sailors was organized at the Naval Information Warfare Center Pacific, resulting in a set of five research priorities spanning near-, mid-, and far-term time frames. This panel will summarize the results of this workshop, with a focus on the big questions both going into this workshop and coming out of it. The panel participants come from government, academia, and industry, providing perspective from the different kinds of organizations required to accomplish these research goals.
Wong, Jason↗
NREL Team Creates High-Activity, Durable Platinum Extended Surface Catalyst for Fuel Cells (Fact Sheet)
Researchers with NREL's Fuel Cell team showed that platinum can replace copper nanowires in such a way that high-surface-area and high-specific-activity catalysts are produced, potentially allowing for lower-cost catalysts.
08 HYDROGEN↗
HILL: The High-Intensity Laser Laboratory Core Team's Reply to Questions from the NNSA Experimental Facilities Panel
Question 1 - The type of physics regimes that HILL can access for weapons studies is quite interesting. The question that arises for the proposal team is what priority does this type of experimental data have versus data that can be obtained with NIF, and Z. How does HILL rank in priority compared to MARIE 1.0 in terms of the experimental data it will provide? We reiterate that isochoric heating experiments to be conducted with HILL are complementary to the high energy density physics experiments at NIF and Z and uniquely access states of matter that neither other facility can access. It is our belief that HILL will enable several important questions, e.g., as related to mix morphology, radiation transfer from corrugated surfaces, and equations of state, to be run to ground through carefully diagnosed, 'unit-physics' experiments.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
FY-12 INL Krypton Capture Activities Supporting the Off-Gas Sigma Team
Tasks performed this year by INL Kr capture off-gas team members can be segregated into three separate task sub-sections which include: 1) The development and testing of a new engineered form sorbent, 2) An initial NDA gamma scan effort performed on the drum containing the Legacy Kr-85 sample materials, and 3) Collaborative research efforts with PNNL involving the testing of the Ni-DOBDC MOF and an initial attempt to make powdered chalcogel material into an engineered form using our binding process. This document describes the routes to success for the three task sub-sections.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
AmeriFlux Measurement Network: Science Team Research
Research involves analysis and field direction of AmeriFlux operations, and the PI provides scientific leadership of the AmeriFlux network. Activities include the coordination and quality assurance of measurements across AmeriFlux network sites, synthesis of results across the network, organizing and supporting the annual Science Team Meeting, and communicating AmeriFlux results to the scientific community and other users. Objectives of measurement research include (i) coordination of flux and biometric measurement protocols (ii) timely data delivery to the Carbon Dioxide Information and Analysis Center (CDIAC); and (iii) assurance of data quality of flux and ecosystem measurements contributed by AmeriFlux sites. Objectives of integration and synthesis activities include (i) integration of site data into network-wide synthesis products; and (ii) participation in the analysis, modeling and interpretation of network data products. Communications objectives include (i) organizing an annual meeting of AmeriFlux investigators for reporting annual flux measurements and exchanging scientific information on ecosystem carbon budgets; (ii) developing focused topics for analysis and publication; and (iii) developing data reporting protocols in support of AmeriFlux network goals.
54 ENVIRONMENTAL SCIENCES↗
Solicitation and Selection of Partner Projects, Technical Team Leads, and Measurement and Validation Contractors for the American Recovery and Reinvestment Act (ARRA) Funded Commercial Building Partnerships (CBP-2)
In March 2010, Pacific Northwest National Laboratory (PNNL) joined two other labs receiving ARRA funding, Lawrence Berkeley National Laboratory (LBNL) and the National Renewable National Laboratory (NREL), to began weekly conference calls with the goal of coordinating a joint lab solicitation to support the ARRA-funded CBP project. Two solicitations were identified for: 1) new CBP Partners; 2) technical contractors to provide technical assistance and measurement and verification (M&V) contractors. The M&V contractors support the work by providing model reviews and conducting monitoring studies to verify building performance. This report documents the process used by the labs for the solicitations, and describes the process and outcomes for PNNL, selection of candidate Partners, technical teams, and M&V contractors.
Nesse, Ronald J.↗
The CMSN team working on computational-design-Fe-based-superconductors (Final Report)
This CMSN collaboration comprises four nodes. Rutgers (G. Kotliar K. Haule) , U Arizona(M. Van Schilfgaarde), UCDavis (S. Savrasov W. Pickett) and Ames National Labs-Iowa State University (J. Schmalian- K.M. Ho- V. Antropov). The goal of this CMSN was to develop an unified methodology for electronic structure calculations to estimate from first principles the physical properties of iron pnictides which should serve as a test of the methodologies and the codes. This goals requires the integration of methodologies to treat electron electron interactions ( which can be treated by DMFT GW and Gutzwiller methods ) and electron phonon interactions and magnetic interactions (to be treated in linear response) which were developed by the different members of this CMSN team. I summarize below the collaborative work carried out until now below stressing the difficult but all important task of joint code development. In this area significant advances have taken place during the last year. These include a) an integration of the DMFT code of the Rutgers group with the Gutzwiller codes developed in Iowa. The result is the best available code to carry out LDA+G and is having impact on correlated materials with f electrons. and b) A Wannier interface between the QP GW code developed in Arizona and the Rutgers DMFT codes. These developments will be continued and will open new capabilities to treat correlated materials in general, and will be applied to the iron pnictides in the final year of this CMSN.
Kotliar, Gabriel↗