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DOE OSTI2021

Organotypic platform for studying cancer cell metastasis

Highlights: • Liver and brain slices can be stable, realistic in vitro 3D models. • Cell stiffness and adhesion to the tissue play determinant roles in cellular invasion in 3D. • MEK inhibitors can lead to increased cell stiffness and adhesion forces, and consequently reduced cancer cell invasion. • MDA-MB-231 breast cancer cells migrate faster and deeper into brain tissue compared to liver tissue. Metastasis is the leading cause of mortality in cancer patients. To migrate to distant sites, cancer cells would need to adapt their behaviour in response to different tissue environments. Thus, it is essential to study this process in models that can closely replicate the tumour microenvironment. Here, we evaluate the use of organotypic liver and brain slices to study cancer metastasis. Morphological and viability parameters of the slices were monitored daily over 3 days in culture to assess their stability as a realistic 3D tissue platform for in vitro metastatic assays. Using these slices, we evaluated the invasion of MDA-MB-231 breast cancer cells and of a subpopulation that was selected for increased motility. We show that the more aggressive invasion of the selected cells likely resulted not only from their lower stiffness, but also from their lower adhesion to the surrounding tissue. Different invasion patterns in the brain and liver slices were observed for both subpopulations. Cells migrated faster in the brain slices (with an amoeboid-like mode) compared to in the liver slices (where they migrated with mesenchymal or collective migration-like modes). Inhibition of the Ras/MAPK/ERK pathway increased cell stiffness and adhesion forces, which resulted in reduced invasiveness. These results illustrate the potential for organotypic tissue slices to more closely mimic in vivo conditions during cancer cell metastasis than most in vitro models.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Triton Initiative: FY22 Communications, Outreach, and Engagement End-of-Year Report

The Department of Energy (DOE) Water Power Technologies Office (WPTO) Triton Initiative supports the advancement of the marine energy (ME) industry through environmental monitoring research and technology development. This report presents the results and analysis of the Triton Initiative’s communications, outreach, and engagement (TCOE) efforts in fiscal year 2022. The primary TCOE goals were to: (1) educate and raise awareness of ME and the role of Triton's environmental monitoring research in supporting the industry; (2) build trust with audiences through transparent communications and outreach; and (3) evaluate and refine TCOE tactics based on feedback and metrics. To support these goals, the TCOE team used multiple platforms and approaches. Notable achievements include: (1) 12 newsletter issues sent to 185 subscribers with an average open rate of 56.4%. (2) 10 Triton Stories, resulting in 2,871 collective views contributing to 46% of all Triton website views. (3) 78 Triton-specific social media posts, which generated a total of 81,896 impressions, 1,037 post-clicks, and 7,814 video views. (4) 6,320 Triton website views with increased search engine optimization ranking in several categories. (5) 3 Triton researchers interviewed as guests on two different podcasts, Water Women and Big Deep: An Ocean Podcast. (6) A Triton special issue of the Journal of Marine Science and Engineering (JMSE) featuring 10 peer reviewed publications. All articles ranked in the top 25%, and two in the top 5%, for digital attention of all research outputs scored by Altmetric. (7) A seven-part webinar series called Triton Talks to share and discuss research and results from the research published in the JMSE special issue. Triton leveraged unique opportunities, particularly the JMSE special issue, to disseminate research results to end users, educate stakeholders, and gain valuable feedback. These concerted communication efforts increased exposure across platforms ultimately resulting in greater reach and access across audiences. Based on audience analyses of webinar attendees and newsletter subscribers, the TCOE team was able to successfully engage with general audiences, research partners, and ME stakeholders, including subject matter experts from government agencies, research organizations, and the regulatory community. The TCOE task established channels to gather input and create opportunities for two-way communication with people engaged with Triton’s outreach efforts. The feedback received will enable the TCOE team to support its goals for ongoing evaluation of outreach and engagement tools while continuing to build trust in the ME community and educate diverse audiences about the impactful research conducted by the Triton Initiative. This report is a Triton Initiative Fiscal Year 2022 Quarter 4 Milestone Deliverable due to the DOE WPTO Sponsor on 9/30/2022. An updated version to include data through 9/30/2022 will be delivered in October 2022.

16 TIDAL AND WAVE POWER↗

DOE OSTI2023

Hydrogen Energy Storage System at Borrego Springs Towards an H2 Enabled 100 Renewable Microgrid

San Diego Gas & Electric's Borrego Springs Microgrid is one of the largest microgrids in the USA, serving 2500 residential customers, 300 commercial and industrial customers, and has a peak demand of approximately 14 MW. This microgrid is located at the end of a long transmission line, and is subjected to extreme weather events like storms, wildfires, and flooding, which frequently cause grid outages. The microgrid currently relies on 3.65 MW of diesel-powered generators to provide grid-forming services during these outages, which results in greenhouse gas and criteria pollutant emissions. However, the microgrid has access to approximately 37 MW of installed solar generation and struggles with overgeneration and curtailment. 1.5 MW/4.5 MWh of grid-scale batteries have been installed to capture some the overgeneration and provide resiliency, but a longer-duration low-greenhouse gas emission energy storage solution is needed. In our project, the team will evaluate in the lab and demonstrate in the field a grid-forming fuel cell inverter that can provide grid-forming services while utilizing hydrogen's energy storage scalability. We will first utilize NREL's Renewable Energy Integration and Optimization (REopt) platform to perform analyses on future microgrid scenarios that use hydrogen assets to reduce or eliminate the need for diesel backup generators. We will then evaluate the grid-forming inverter through power hardware-in-the-loop and controller hardware-in-the-loop experiments at ARIES, and de-risk the field deployment and operation of hydrogen assets in the microgrid setting. Finally, this project will demonstrate the operation of the fuel cell inverter and updated microgrid controller by operating in grid-forming mode in the Borrego Springs microgrid.

Borrego Springs↗

DOE OSTI2024

Hydrogen Energy Storage System at Borrego Springs Towards an H2 Enabled 100% Renewable Microgrid

blackstart with fuel cells↗

DOE OSTI2017

Evaluation of Used Fuel Disposition in Clay-Bearing Rock

The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key advances in experimental and modeling aspects of chemical and physical phenomena towards the long-term safety assessment of nuclear waste disposition in deep clay/shale/argillaceous rock. Experimental activities on clay barrier interactions with fluids and radionuclides provide the much needed knowledge to evaluate engineered barrier system (EBS) performance. Thermal-Hydrological-Mechanical-Chemical (THMC) model development of clay provides a rigorous simulation platform to assess the complex dynamic behavior of engineered and natural barrier materials in response to coupled process phenomena induced by heat-generating nuclear waste. This report describes the ongoing disposal R&D efforts on the advancement and refinement of coupled THMC process models, hydrothermal experiments and geochemical modeling of on barrier material (clay/metal) interactions, spent fuel and canister material degradation, radiolytic phenomena and UO 2 degradation, and thermodynamic database development. These play an important role to the evaluation of sacrificial zones as part of the EBS exposure to thermally-driven chemical and transport processes. Clay-zeolite phase equilibria play a key role in the mineralogical transformations of clay barrier conducive to loss in swelling properties but also in controlling H 2 0 uptake/release through hydration/dehydration reactions. The result is volume changes can affect the interface / bulk phase porosities, transport, and the mechanical (stress) state of the bentonite barrier. Characterization studies on barrier samples (bentonite/cement) from controlled tests at underground research laboratories (URLs) provide key insights into barrier materials interactions at EBS interfaces. Spent fuel degradation modeling coupled with canister and cladding corrosion effects demonstrate the strong influence of H 2 generation on the source term.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Designing for Zero Energy and Zero Carbon on a Multi-Building Scale Using URBANopt: Preprint

Groundbreaking efforts are necessary to mitigate contributors increasing impacts of climate change. In parallel to inventing pioneering clean energy technologies it is even more fundamental to rethink designing energy systems within a singular facility and collectively to function as a district. Facilities should not be continuously passive by just consuming; there is a need to shift to perform more dynamically. Designing for zero energy and zero carbon on a multi-building scale can uncover opportunities for building energy efficiency, decarbonization, demand flexibility, and resiliency that are not accessible at an individual building scale. This approach can be challenging without innovative tools to evaluate the multitude of possibilities. As an investigated result, we highlight the use of a campus-scale energy modeling platform - URBANopt™ - for the expansion of the National Renewable Energy Laboratory's (NREL's) South Table Mountain campus in Golden, Colorado. Programmatic growth included the design of three new all-electric, zero-energy, and zero-carbon, mixed used buildings (a combination of research laboratories and office space). This investigation is critical to NREL reaching net-zero emissions for its operational footprint, which will occur in phases over the next decade. Leveraging URBANopt's capabilities, we evaluate 1) high-performance building energy efficiency and decarbonization measures, 2) 4th generation district heating and cooling (4th GDHC) systems, 3) optimized onsite generation and energy storage assets that meet zero-energy and zero-carbon targets at minimum life-cycle costs, and 4) cost-optimal distributed energy technology mixes, dispatch strategies, and associated capacities that increase resiliency to grid outages. This work demonstrates the use and capabilities of URBANopt through a real-world case study on a multi-building scale.

community energy model↗

NASA NTRS2008

International Space Station Medical Project

The goals and objectives of the ISS Medical Project (ISSMP) are to: 1) Maximize the utilization the ISS and other spaceflight platforms to assess the effects of longduration spaceflight on human systems; 2) Devise and verify strategies to ensure optimal crew performance; 3) Enable development and validation of a suite of integrated physical (e.g., exercise), pharmacologic and/or nutritional countermeasures against deleterious effects of space flight that may impact mission success or crew health. The ISSMP provides planning, integration, and implementation services for Human Research Program research tasks and evaluation activities requiring access to space or related flight resources on the ISS, Shuttle, Soyuz, Progress, or other spaceflight vehicles and platforms. This includes pre- and postflight activities; 2) ISSMP services include operations and sustaining engineering for HRP flight hardware; experiment integration and operation, including individual research tasks and on-orbit validation of next generation on-orbit equipment; medical operations; procedures development and validation; and crew training tools and processes, as well as operation and sustaining engineering for the Telescience Support Center; and 3) The ISSMP integrates the HRP approved flight activity complement and interfaces with external implementing organizations, such as the ISS Payloads Office and International Partners, to accomplish the HRP's objectives. This effort is led by JSC with Baseline Data Collection support from KSC.

Starkey, Blythe A.↗

DOE OSTI2014

Towards reversible basic linear algebra subprograms: A performance study

Problems such as fault tolerance and scalable synchronization can be efficiently solved using reversibility of applications. Making applications reversible by relying on computation rather than on memory is ideal for large scale parallel computing, especially for the next generation of supercomputers in which memory is expensive in terms of latency, energy, and price. In this direction, a case study is presented here in reversing a computational core, namely, Basic Linear Algebra Subprograms, which is widely used in scientific applications. A new Reversible BLAS (RBLAS) library interface has been designed, and a prototype has been implemented with two modes: (1) a memory-mode in which reversibility is obtained by checkpointing to memory in forward and restoring from memory in reverse, and (2) a computational-mode in which nothing is saved in the forward, but restoration is done entirely via inverse computation in reverse. The article is focused on detailed performance benchmarking to evaluate the runtime dynamics and performance effects, comparing reversible computation with checkpointing on both traditional CPU platforms and recent GPU accelerator platforms. For BLAS Level-1 subprograms, data indicates over an order of magnitude better speed of reversible computation compared to checkpointing. For BLAS Level-2 and Level-3, a more complex tradeoff is observed between reversible computation and checkpointing, depending on computational and memory complexities of the subprograms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Acoustic characterization of sensors used for marine environmental monitoring

We report active acoustic sensors are widely used in oceanographic and environmental studies. Although many have nominal operating frequencies above the range of marine mammal hearing, they can produce out-of-band sound that may be audible to marine mammals. Acoustic emissions from four active acoustic transducers were characterized and compared to marine mammal hearing thresholds. All four transducers had nominal operating frequencies above the reported upper limit of marine mammal hearing, but produced measurable sound below 160 kHz. A spatial map of the acoustic emissions of each sonar is used to evaluate potential effects on marine mammal hearing when the transducer is continuously operated from a stationary platform. Based on the cumulative sound exposure level metric, the acoustic emissions from the transducers are unlikely to cause temporary threshold shifts in marine mammals, but could affect animal behavior. The extent of audibility is estimated to be, at most, on the order of 100 m.

47 OTHER INSTRUMENTATION↗

DOE OSTI2019

Measuring and Modulating Substrate Confinement during Nitrogen-Atom Transfer in a Ru 2 -Based Metal-Organic Framework

The porosity and synthetic tunability of metalorganic frameworks (MOFs) motivate interest in application of these materials as designer heterogeneous catalysts. While understanding substrate mobility in these materials is critical to the rational development of highly active catalyst platforms, experimental data are rarely available. Here we demonstrate kinetic isotope effect (KIE) analysis enables direct evaluation of the extent of substrate confinement as a function of material mesoporosity. Further, we provide evidence that suggests substrate confinement within a microporous Ru 2 -based MOF gives rise to quantum tunneling during interstitial C–H amination. Here, the reported data provide the first evidence for tunneling during interstitial MOF chemistry and illustrate an experimental strategy to evaluate the impact of material structure on substrate mobility in porous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Strategies for Integrating Deep Learning Surrogate Models with HPC Simulation Applications

The emerging trend of the convergence of high performance computing (HPC), machine learning/deep learning (ML/DL), and big data analytics presents a host of challenges for large-scale computing campaigns that seek best practices to interleave traditional scientific simulation-based workloads with ML/DL models. A portfolio of systematic approaches to incorporate deep learning into modeling and simulation serves a vital need when we support AI for science at a computing facility. In this paper, we evaluate several strategies for deploying deep learning surrogate models in a representative physics application on supercomputers at the Oak Ridge Leadership Computing Facility (OLCF). We discuss a set of recommended deployment architectures and implementation approaches. We analyze and evaluate these alternatives and show their performance and scalability up to 1000 GPUs on two mainstream platforms equipped with different deep learning hardware and software stacks.

Yin, Junqi↗

DOE OSTI2025

Electrifying Airport GSE: Monte Carlo Grid Impacts

Airports globally are shifting from ICE-powered to electric Ground Support Equipment (eGSE) to enhance efficiency, reduce operational costs, and improve operator health. Leveraging predictable routes, flat terrain, and low operational speeds, airports provide ideal conditions for electrification. This study evaluates freight GSE electrification at Dallas-Fort Worth International Airport (DFW), USA, using the Agile@ platform, which integrates three analytical methods: Freight Facility Model (FFM), Activity-Structure-Intensity-Fuel (ASIF), and Monte Carlo simulations. Results from 10,000 simulations indicate modest but critical increases in electricity demand and significant variability in GSE energy consumption. These insights emphasize the importance of data-driven scheduling, targeted maintenance, and strategic infrastructure planning. For high-uncertainty scenarios, airports are advised to deploy buffer energy storage systems (battery banks), implement demand-response charging strategies, schedule flexible workforce shifts, and prioritize proactive maintenance-particularly for equipment with higher operational uncertainty, such as tug tractors with trailers. Agile@ thus offers a robust, scalable, and data-driven framework to optimize long-term GSE planning and enhance reliability across diverse airport environments.

Bose, Ranjan [ORNL] (ORCID:0009000791026327)↗

DOE OSTI2016

Damaris: Addressing performance variability in data management for post-petascale simulations

With exascale computing on the horizon, reducing performance variability in data management tasks (storage, visualization, analysis, etc.) is becoming a key challenge in sustaining high performance. Here, this variability significantly impacts the overall application performance at scale and its predictability over time. In this article, we present Damaris, a system that leverages dedicated cores in multicore nodes to offload data management tasks, including I/O, data compression, scheduling of data movements, in situ analysis, and visualization. We evaluate Damaris with the CM1 atmospheric simulation and the Nek5000 computational fluid dynamic simulation on four platforms, including NICS’s Kraken and NCSA’s Blue Waters. Our results show that (1) Damaris fully hides the I/O variability as well as all I/O-related costs, thus making simulation performance predictable; (2) it increases the sustained write throughput by a factor of up to 15 compared with standard I/O approaches; (3) it allows almost perfect scalability of the simulation up to over 9,000 cores, as opposed to state-of-the-art approaches that fail to scale; and (4) it enables a seamless connection to the VisIt visualization software to perform in situ analysis and visualization in a way that impacts neither the performance of the simulation nor its variability. In addition, we extended our implementation of Damaris to also support the use of dedicated nodes and conducted a thorough comparison of the two approaches—dedicated cores and dedicated nodes—for I/O tasks with the aforementioned applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Programming Strategies for Irregular Algorithms on the Emu Chick

The Emu Chick prototype implements migratory memory-side processing in a novel hardware system. Rather than transferring large amounts of data across the system interconnect, the Emu Chick moves lightweight thread contexts to near-memory cores before the beginning of each remote memory read. Previous work has characterized the performance of the Chick prototype in terms of memory bandwidth and programming differences from more typical, non-migratory platforms, but there has not yet been an analysis of algorithms on this system. This work evaluates irregular algorithms that could benefit from the lightweight, memory-side processing of the Chick and demonstrates techniques and optimization strategies for achieving performance in sparse matrix-vector multiply operation (SpMV), breadth-first search (BFS), and graph alignment across up to eight distributed nodes encompassing 64 nodelets in the Chick system. We also define and justify relative metrics to compare prototype FPGA-based hardware with established ASIC architectures. The Chick currently supports up to 68x scaling for graph alignment, 80 MTEPS for BFS on balanced graphs, and 50% of measured STREAM bandwidth for SpMV.

Hein, Eric↗

DOE OSTI2022

Experience of Migrating a Parallel Graph Coloring Program from CUDA to SYCL

We describe the experience of converting a CUDA implementation of a parallel graph coloring algorithm to SYCL. The goals are for our work to be useful to application and compiler developers by providing a detailed description of migration paths between CUDA and SYCL. We will describe how CUDA functions are mapped to SYCL functions. Evaluating the CUDA and SYCL implementations of the algorithm shows that the performance of SYCL and CUDA kernels are comparable over the test graph set on NVIDIA P100 and V100 GPUs. The SYCL program also allows for performance evaluation with the OpenCL and Level Zero interfaces and power profiling on an Intel GPU computing platform.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Real Time-Optimal Power Flow-Based Distributed Energy Resource Management System (DERMS)

This project aims to promote lab-proven clean energy technology to commercially scalable versions of the technology, integrate the technology with broader systems, provide extended performance data, and validate the manufacturability and reliability of the technology. The lab-proven technology, RT-OPF DERMS, was developed and validated through previous U.S. Department of Energy-funded efforts, including Advanced Research Projects Agency-Energy funding under the Network Optimized Distributed Energy Systems program and Holy-Cross Energy High Impact Project. In the Advanced Research Projects Agency-Energy Network Optimized Distributed Energy Systems project, the RT-OPF DERMS was developed and implemented in multiple hardware platforms, demonstrating its performance and capabilities in the lab and field environments. The technology was also evaluated and matured via a participation in the U.S. Department of Energy I-Corps program, whose goal is to pair teams of researchers with industry mentors for an intensive 2-month training in which the researchers define technology value propositions, conduct customer discovery interviews, and develop viable market pathways for their technologies. These activities indicate the high technology maturity and Technology Readiness Level of the RT-OPF DERMS.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1966

Rendezvous of Gemini VII and Gemini VI-A

A description of the rendezvous techniques, procedures, and flight data charts developed for the Gemini VI-A mission is presented in this paper. The flight data charts and crew timeline activities were developed over an 8-month period. Successful rendezvous is critically dependent on the presentation to the flight crew of sufficient information developed onboard the spacecraft. The Gemini VI-A flight crew used this information to evaluate the rendezvous progress by several different methods and made critical decisions based on their evaluation. The system combination found most effective in making these evaluations was the range-rate data from the radar, and the angle data from the platform.

GEMINI PROJECT↗

NASA NTRS1983

Atmospheric soundings from a geostationary satellite

The accuracy of the soundings from a geostationary platform with the visible infrared spin-scan radiometer atmospheric sounder (VAS) on GOES-5 is evaluated. It is shown that the VAS radiances for the case under investigation are consistent with those obtained by the polar orbiting high resolution infrared radiation sounders. VAS temperature profile retrievals are found to agree well with those observed by radiosonde. An improved product can be obtained by initializing the retrieval process with ground-based Profiler data. It is found that time variations in the atmospheric state are readily discernible from VAS soundings at approximately 2 hr intervals. The results of this case study show that merging ground Profiler and satellite VAS observations can provide temperature soundings of comparable accuracy to those of the radiosonde, although the VAS-Profiler sounding can be achieved much more frequently.

Menzel, W. P.↗