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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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At least 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Impact of cyber attacks on distributed compressive sensing based state estimation in power distribution grids

Modern power distribution grids suffer from multiple vulnerabilities due to the tight integration between the physical system and the cyber infrastructure. Sophisticated and malicious cyber attacks continue to adversely impact the grid operation leading to performance degradation, service interruption, and grid failure. State estimation plays an essential role in grid monitoring and advancing cyber-attack situational awareness. In this regard, this paper first proposes a distributed compressive sensing (CS) state estimation approach for an unobservable distribution grid. Further, the proposed distributed CS approach divides the distribution grid into sub-areas to perform local state estimation. Then an alternating direction method of multipliers (ADMM) based iterative information exchange among neighboring areas is employed to complete the estimation process. In this estimation process, the impact of loss of measurement data, false data injection (FDI), replay, and neighborhood cyber-attacks is analyzed. Extensive simulations are performed on the IEEE 37-bus and IEEE 123-bus standard networks to demonstrate the algorithm’s robustness to the aforementioned cyber-attacks. A quantitative analysis of computational complexity and simulation time of the distributed CS based approach is also presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Deep learning at the edge enables real-time streaming ptychographic imaging

Abstract Coherent imaging techniques provide an unparalleled multi-scale view of materials across scientific and technological fields, from structural materials to quantum devices, from integrated circuits to biological cells. Driven by the construction of brighter sources and high-rate detectors, coherent imaging methods like ptychography are poised to revolutionize nanoscale materials characterization. However, these advancements are accompanied by significant increase in data and compute needs, which precludes real-time imaging, feedback and decision-making capabilities with conventional approaches. Here, we demonstrate a workflow that leverages artificial intelligence at the edge and high-performance computing to enable real-time inversion on X-ray ptychography data streamed directly from a detector at up to 2 kHz. The proposed AI-enabled workflow eliminates the oversampling constraints, allowing low-dose imaging using orders of magnitude less data than required by traditional methods.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reuniting crystallography with real space: Ab initio structure elucidation with 4D-STEM

Structure elucidation via single-crystal methods has historically lacked experimental access to real-space information, instead relying exclusively on diffraction-space measurements of Bragg reflections. Here we exploit the dual-space imaging power of 4D scanning transmission electron microscopy to meaningfully integrate real-space information into the crystallographic workflow. We show that virtual apertures assembled by segmentation of high-angle annular dark-field images enable i) pixel-by-pixel separation of coherent Bragg signal from clusters of closely spaced nanocrystals and ii) selective extraction of integrated intensities from thinner subregions of individual specimens, facilitating retroactive tuning of multiple scattering artifacts. This strategy empowers us to simply pick and choose whichever nanoscale regions of interest generate the highest-quality diffraction patterns, allowing us to solve several independent structures of the metal-organic framework UiO-66 from specimens whose agglomerated morphology proved intractable for conventional microcrystal electron diffraction. Our method is compatible with both rotational and serial approaches to data processing, ultimately divulging the first scanning nanobeam electron diffraction structures determined by direct methods at subangstrom resolution.

Saha, Ambarneil↗
DOE OSTI2022

Unified Language Frontend for Physic-Informed AI/ML

Artificial intelligence and machine learning (AI/ML) are becoming important tools for scientific modeling and simulation as in several other fields such as image analysis and natural language processing. ML techniques can leverage the computing power available in modern systems and reduce the human effort needed to configure experiments, interpret and visualize results, draw conclusions from huge quantities of raw data, and build surrogates for physics based models. Domain scientists in fields like fluid dynamics, microelectronics and chemistry can automate many of their most difficult and repetitive tasks or improve the design times by use of the faster ML-surrogates. However, modern ML and traditional scientific highperformance computing (HPC) tend to use completely different software ecosystems. While ML frameworks like PyTorch and TensorFlow provide Python APIs, most HPC applications and libraries are written in C++. Direct interoperability between the two languages is possible but is tedious and error-prone. In this work, we show that a compiler-based approach can bridge the gap between ML frameworks and scientific software with less developer effort and better efficiency. We use the MLIR (multi-level intermediate representation) ecosystem to compile a pre-trained convolutional neural network (CNN) in PyTorch to freestanding C++ source code in the Kokkos programming model. Kokkos is a programming model widely used in HPC to write portable, shared-memory parallel code that can natively target a variety of CPU and GPU architectures. Our compiler-generated source code can be directly integrated into any Kokkosbased application with no dependencies on Python or cross-language interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Quantifying the Known Unknown: Including Marine Sources of Greenhouse Gases in Climate Modeling

Researchers have recently estimated that Arctic submarine permafrost currently traps 60 billion tons of methane and contains 560 billion tons of organic carbon in seafloor sediments and soil, a giant pool of carbon with potentially large feedbacks on the climate system. Unlike terrestrial permafrost, the submarine permafrost system has remained a “known unknown” because of the difficulty in acquiring samples and measurements. Consequently, this potentially large carbon stock never yet considered in global climate models or policy discussions, represents a real wildcard in our understanding of Earth’s climate. This report summarizes our group’s effort at developing a numerical modeling framework designed to produce a first-of-its-kind estimate of Arctic methane gas releases from the marine sediments to the water column, and potentially to the atmosphere, where positive climate feedback may occur. Newly developed modeling capability supported by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories now gives us the ability to probabilistically map gas distribution and quantity in the seabed by using a hybrid approach of geospatial machine learning, and predictive numerical thermodynamic ensemble modeling. The novelty in this approach is its ability to produce maps of useful data in regions that are only sparsely sampled, a common challenge in the Arctic, and a major obstacle to progress in the past. By applying this model to the circum-Arctic continental shelves and integrating the flux of free gas from in situ methanogenesis and dissociating gas hydrates from the sediment column under climate forcing, we can provide the most reliable estimate of a spatially and temporally varying source term for greenhouse gas flux that can be used by global oceanographic circulation and Earth system models (such as DOE’s E3SM). The result will allow us to finally tackle the wildcard of the submarine permafrost carbon system, and better inform us about the severity of future national security threats that sustained climate change poses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Reimagining Energy Efficiency Resource Standards

Energy Efficiency Resource Standards (EERS) are a long-standing policy used to advance state goals and priorities, such as reliability, affordability and decarbonization. They ensure cost-effective energy efficiency is used to lower energy consumption, reduce peak demand, and enable grid flexibility. Adapting EERS through strategic design, and integrating EERS into broader energy plans and policies, can help states optimize their approach to meet modern and evolving power system needs and achieve sustainable energy outcomes. This report examines how states consider energy efficiency in the context of four policy priorities: providing grid benefits, addressing load growth, reducing emissions, and promoting affordability. It provides examples of states that are pursuing these priorities, reviews the role of energy efficiency in them and identifies opportunities to further promote energy efficiency alongside the priorities. Decisionmakers and stakeholders can draw directly from these examples and findings to design an EERS that maximizes co-benefits, captures synergies, and promotes consideration of the all the possible solutions to advance their goals.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Today's Energy Challenges, Tomorrow's Solutions: Integrated Energy Pathways: Modernizing Our Energy Systems

Integrated Energy Pathways Today's electric grid was built for century-old needs, not the needs of tomorrow's emerging system. As the cost of generating electricity falls, products and systems that previously operated on other types of fuels are becoming increasingly "electrified." Instead of a one-way flow of electricity to systems that operate independently from one another, we are seeing more bi-directional connectivity between the grid and multiple end points. Integrated Energy Systems require a fundamental rethinking of grid infrastructure and the path electricity takes from the source of generation to the end point of use. Inevitably, the way the grid is managed today won't be the way it is managed 10-15 years from now. NREL is pioneering the fundamental research needed to guide this transition through renewable energy fuels and low-carbon electricity generation. Working with industry partners, we can collaboratively develop a fresh approach to energy generation, security, resilience, and advanced mobility.

energy security↗
NASA NTRS2016

Geocam Space: Enhancing Handheld Digital Camera Imagery from the International Space Station for Research and Applications

Handheld astronaut photography of the Earth has been collected from the International Space Station (ISS) since 2000, making it the most temporally extensive remotely sensed dataset from this unique Low Earth orbital platform. Exclusive use of digital handheld cameras to perform Earth observations from the ISS began in 2004. Nadir viewing imagery is constrained by the inclined equatorial orbit of the ISS to between 51.6 degrees North and South latitude, however numerous oblique images of land surfaces above these latitudes are included in the dataset. While unmodified commercial off-the-shelf digital cameras provide only visible wavelength, three-band spectral information of limited quality current cameras used with long (400+ mm) lenses can obtain high quality spatial information approaching 2 meters/ground pixel resolution. The dataset is freely available online at the Gateway to Astronaut Photography of Earth site (http://eol.jsc.nasa.gov), and now comprises over 2 million images. Despite this extensive image catalog, use of the data for scientific research, disaster response, commercial applications and visualizations is minimal in comparison to other data collected from free-flying satellite platforms such as Landsat, Worldview, etc. This is due primarily to the lack of fully-georeferenced data products - while current digital cameras typically have integrated GPS, this does not function in the Low Earth Orbit environment. The Earth Science and Remote Sensing (ESRS) Unit at NASA Johnson Space Center provides training in Earth Science topics to ISS crews, performs daily operations and Earth observation target delivery to crews through the Crew Earth Observations (CEO) Facility on board ISS, and also catalogs digital handheld imagery acquired from orbit by manually adding descriptive metadata and determining an image geographic centerpoint using visual feature matching with other georeferenced data, e.g. Landsat, Google Earth, etc. The lack of full geolocation information native to the data makes it difficult to integrate astronaut photographs with other georeferenced data to facilitate quantitative analysis such as urban land cover/land use classification, change detection, or geologic mapping. The manual determination of image centerpoints is both time and labor-intensive, leading to delays in releasing geolocated and cataloged data to the public, such as the timely use of data for disaster response. The GeoCam Space project was funded by the ISS Program in 2015 to develop an on-orbit hardware and ground-based software system for increasing the efficiency of geolocating astronaut photographs from the ISS (Fig. 1). The Intelligent Robotics Group at NASA Ames Research Center leads the development of both the ground and on-orbit systems in collaboration with the ESRS Unit. The hardware component consists of modified smartphone elements including cameras, central processing unit, wireless Ethernet, and an inertial measurement unit (gyroscopes/accelerometers/magnetometers) reconfigured into a compact unit that attaches to the base of the current Nikon D4 camera - and its replacement, the Nikon D5 - and connects using the standard Nikon peripheral connector or USB port. This provides secondary, side and downward facing cameras perpendicular to the primary camera pointing direction. The secondary cameras observe calibration targets with known internal X, Y, and Z position affixed to the interior of the ISS to determine the camera pose corresponding to each image frame. This information is recorded by the GeoCam Space unit and indexed for correlation to the camera time recorded for each image frame. Data - image, EXIF header, and camera pose information - is transmitted to the ground software system (GeoRef) using the established Ku-band USOS downlink system. Following integration on the ground, the camera pose information provides an initial geolocation estimate for the individual film frame. This new capability represents a significant advance in geolocation from the manual feature-matching approach for both nadir and off-nadir viewing imagery. With the initial geolocation estimate, full georeferencing of an image is completed using the rapid tie-pointing interface in GeoRef, and the resulting data is added to the Gateway to Astronaut Photography of Earth online database in both Geotiff and Keyhole Markup Language (kml) formats. The integration of the GeoRef software component of Geocam Space into the CEO image cataloging workflow is complete, and disaster response imagery acquired by the ISS crew is now fully georeferenced as a standard data product. The on-orbit hardware component (GeoSens) is in final prototyping phase, and is on-schedule for launch to the ISS in late 2016. Installation and routine use of the Geocam Space system for handheld digital camera photography from the ISS is expected to significantly improve the usefulness of this unique dataset for a variety of public- and private-sector applications.

Stefanov, William L.↗
DOE OSTI2020

The connectome of the adult Drosophila mushroom body provides insights into function

Making inferences about the computations performed by neuronal circuits from synapse-level connectivity maps is an emerging opportunity in neuroscience. The mushroom body (MB) is well positioned for developing and testing such an approach due to its conserved neuronal architecture, recently completed dense connectome, and extensive prior experimental studies of its roles in learning, memory, and activity regulation. Here, we identify new components of the MB circuit in Drosophila , including extensive visual input and MB output neurons (MBONs) with direct connections to descending neurons. We find unexpected structure in sensory inputs, in the transfer of information about different sensory modalities to MBONs, and in the modulation of that transfer by dopaminergic neurons (DANs). We provide insights into the circuitry used to integrate MB outputs, connectivity between the MB and the central complex and inputs to DANs, including feedback from MBONs. Our results provide a foundation for further theoretical and experimental work.

Li, Feng↗
NASA NTRS1989

Advanced development of BEM for elastic and inelastic dynamic analysis of solids

Direct Boundary Element formulations and their numerical implementation for periodic and transient elastic as well as inelastic transient dynamic analyses of two-dimensional, axisymmetric and three-dimensional solids are presented. The inelastic formulation is based on an initial stress approach and is the first of its kind in the field of Boundary Element Methods. This formulation employs the Navier-Cauchy equation of motion, Graffi's dynamic reciprocal theorem, Stokes' fundamental solution, and the divergence theorem, together with kinematical and constitutive equations to obtain the pertinent integral equations of the problem in the time domain within the context of the small displacement theory of elastoplasticity. The dynamic (periodic, transient as well as nonlinear transient) formulations have been applied to a range of problems. The numerical formulations presented here are included in the BEST3D and GPBEST systems.

Banerjee, P. K.↗
NASA NTRSDate not supplied

Enabling Interoperability in Earth System Digital Twins (ESDT): Integrating Observations, Models, and AI for Actionable Insights Through NASA'S Intelligent Systems Technology Program

NASA’s Intelligent Systems Technology Program (IST) is driving a paradigm shift in Earth science through the development of Earth System Digital Twins (ESDT). These integrated information systems create a dynamic "digital replica" of the Earth by harmonizing continuous, multi-source observations with high-fidelity models and state-of-the-art artificial intelligence (AI) that enable “What now?”, “What next?”, and “What if?” scenario building. These scenarios are reflected in NASA IST’s series of ESDTs, from the Coastal Zone Digital Twin that integrates complex data on the current state of the Chesapeake Bay to the Terrestrial Environmental Rapid-Replication and Assimilation Hydrometeorological (TerraHydro) AI-based ESDT that forecasts water movement across Earth’s surface, to the Agriculture Land Information System (AgLIS) which can be used to assess optimal planting dates and crop yield estimates. By bridging the gap between vast data archives and actionable insights, these projects enable a system-of-systems approach to understanding complex, interacting Earth processes. This poster will highlight recent innovations and future directions from NASA’s ESDT initiatives: Continuous Data Assimilation & Multi-Source Fusion. A core requirement of the ESDT work is the transition from static models to dynamic "living" replicas. This involves creating frameworks for the continual assimilation of near-real-time data from uncoordinated, heterogeneous sources, including satellite observations and airborne assets, and ground-based Internet of Things (IoT) sensors. These systems link design, operational status, and environmental data, ensuring the digital twin accurately reflects the current state of the physical Earth system. High-Fidelity Hybrid Modeling & Computational Acceleration to enable interactive "what-if" explorations, programs are moving beyond traditional, slow physical solvers by developing fast surrogate machine learning models and Deep Generative Models (DGMs). These hybrid approaches use neural networks to emulate complex physics, such as cloud feedback or ocean dynamics, at a fraction of the original computing cost, often leveraging advanced hardware like Graphics Processing Units (GPUs) to achieve the necessary scale. Federated Ecosystems & Interoperable Frameworks rather than building isolated tools, NASA IST is moving toward federated ESDTs and reusable analytic collaborative frameworks. This theme focuses on interoperability standards and common ontologies that allow specialized digital twins to interact and share data. This system-of-systems architecture supports multi-discipline investigations, such as analyzing how upstream watershed changes impact downstream urban flooding or how wildfire emissions affect regional air quality. By leveraging these advancements, ESDTs empower researchers and decision-makers to conduct real-time analysis and run complex hypothetical scenarios, ultimately improving our understanding of Earth’s evolving systems and informing critical real-world applications.

Earth System↗
NASA NTRS2008

Designing the Ares I Crew Launch Vehicle Upper Stage Element and Integrating the Stack at NASA's Marshall Space Flight Center

Fielding an integrated launch vehicle system entails many challenges, not the least of which is the fact that it has been over 30 years since the United States has developed a human-rated vehicle - the venerable Space Shuttle. Over time, whole generations of rocket scientists have passed through the aerospace community without the opportunity to perform such exacting, demanding, and rewarding work. However, with almost 50 years of experience leading the design, development, and end-to-end systems engineering and integration of complex launch vehicles, NASA's Marshall Space Flight Center offers the in-house talent - both junior- and senior-level personnel - to shape a new national asset to meet the requirements for safe, reliable, and affordable space exploration solutions.' These personnel are housed primarily in Marshall's Engineering Directorate and are matrixed into the programs and projects that reside at the rocket center. Fortunately, many Apollo era and Shuttle engineers, as well as those who gained valuable hands-on experience in the 1990s by conducting technology demonstrator projects such as the Delta-Clipper Experimental Advanced, X-33, X-34, and X-37, as well as the short-lived Orbital Space Plane, work closely with industry partners to advance the nation's strategic capability for human access to space. Currently, only three spacefaring nations have this distinction, including the United States, Russia, and, more recently, China. The U.S. National Space Policy of2006 directs that NASA provide the means to travel to space, and the NASA Appropriations Act of2005 provided the initial funding to begin in earnest to replace the Shuttle after the International Space Station construction is complete in 20 IO? These and other strategic goals and objectives are documented in NASA's 2006 Strategic Plan.3 In 2005, a team of NASA aerospace experts conducted the Exploration Systems Architecture Study, which recommended a two-vehicle approach to America's next space transportation system for missions to the International Space Station in the next decade and to explore the Moon and establish an outpost around the 2020 timeframe.4 Based on this extensive study, NASA selected the Ares I crew launch vehicle configuration and the heavy-lift Ares V cargo launch vehicle (fig 1). This paper will give an overview of NASA's approach to integrating the Ares I vehicle stack using capabilities and assets that are resident in Marshall's Engineering Directorate, working in partnership with other NASA Centers and the U.S. aerospace industry. It also will provide top-level details on the progress of the in-house design of the Ares I vehicle's upper stage element.

Lyles, Garry↗
DOE OSTI2026

Holistic energy analysis method for thermal management architectures of data centers

Modern high-performance computing (HPC) data centers (DCs), particularly those supporting energy-intensive artificial intelligence (AI) workloads, face escalating thermal management challenges that degrade performance through thermal throttling and drive up cooling power consumption and operational costs. To address this challenge, many have developed a wide variety of thermal management solutions (single-phase, two-phase, direct, indirect, hybrid, and more) which attempt to cool HPC DCs effectively while attempting to minimize overall system power consumption. However, the analysis of these solutions and methods to effectively compare one with another is lacking. Overall power usage effectiveness (PUE) and total-power usage effectiveness (TUE) provide a metric to quantify power consumption but fail to identify components in the system which require further optimization. To address this, we propose a holistic analytical framework – the waterfall diagram (WFD) – which leverages a waterfall chart methodology, offering a comprehensive visualization of both the thermal management system loop and heat flow pathways from individual server components to the outdoor ambient. Use of the WFD enables graphical estimations of power efficiency and cooling performance across each component of a DC cooling system and complements Sankey-style energy flow visualizations by additionally resolving stage-wise temperature changes and incremental TUE contributions. The framework is used in conjunction with simulation-based approaches, to conduct a detailed pressure drop and flow distribution analysis aimed at identifying the optimal coolant distribution architecture for a single-phase direct-to-chip water-cooled DC, which serves as the baseline for subsequent WFD analysis. Among the evaluated architectures, the 3 U modular coolant distribution architecture is found to demonstrate the best performance, considering minimal pressure drop and uniform flow distribution. In addition, TUE is calculated for each cooling loop component based on its associated pressure drop and corresponding pumping power, which are integrated into the WFD. This correlation between TUE and local temperature offers immediate insight into the power efficiency and thermal performance contributions of individual components, facilitating further development and optimization. Examples of WFD applications are presented under varying thermal loads and ambient conditions, demonstrating reasonable cooling strategies. Notably, the 3 U modular architecture maintains a consistent chip case temperature of 85°C, achieving a TUE of 1.016 at ambient temperature of 47°C, and a TUE of 1.026 at ambient temperature of 52°C. The WFD methodology provides an efficient, holistic, and streamlined framework for DC thermal management architecture assessment and enables design optimization which is important for addressing the thermal-fluidic energy challenges of current and next-generation DCs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

The structural and functional integrities of porcine myocardium are mostly preserved by cryopreservation

Structural and functional studies of heart muscle are important to gain insights into the physiological bases of cardiac muscle contraction and the pathological bases of heart disease. While fresh muscle tissue works best for these kinds of studies, this is not always practical to obtain, especially for heart tissue from large animal models and humans. Conversely, tissue banks of frozen human hearts are available and could be a tremendous resource for translational research. It is not well understood, however, how liquid nitrogen freezing and cryostorage may impact the structural integrity of myocardium from large mammals. In this study, we directly compared the structural and functional integrity of never-frozen to previously frozen porcine myocardium to investigate the consequences of freezing and cryostorage. X-ray diffraction measurements from hydrated tissue under near-physiological conditions and electron microscope images from chemically fixed porcine myocardium showed that prior freezing has only minor effects on structural integrity of the muscle. Furthermore, mechanical studies similarly showed no significant differences in contractile capabilities of porcine myocardium with and without freezing and cryostorage. These results demonstrate that liquid nitrogen preservation is a practical approach for structural and functional studies of myocardium.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Self-Organizing Map-Based Resilience Quantification and Resilient Control of Distribution Systems Under Extreme Events

Due to climate change, extreme weather events are occurring more frequently and with increasing impact. This trend poses a significant challenge for distribution system operators (DSO) to ensure that there is uninterrupted power supply to critical loads in their networks. To embed resilience into DSO's decision-making, resilience needs to be first quantified and then integrated into the system-level optimization. Therefore, this paper first develops a novel self-organizing map (SOM) based method (called SomRes) to quantify the time-varying resilience index of a system that can leverage the powerful classification property of SOMs and removes some of the disadvantages of subjective weight assignment methods. Using SomRes, a resilient resource allocation and operational dispatch algorithm is further developed to enhance system resilience against extreme events by considering the SomRes resilience index directly as the feedback. Here, the proposed resilience quantification approach is benchmarked with a state-of-the-art approach and the efficacy of the proposed resilient dispatch algorithm is demonstrated through several deterministic and statistical case studies on the IEEE 123-bus distribution system. Simulation studies show that the proposed SomRes quantification method is an appropriate indicator of system resilience, and the resilient resource allocation and dispatch strategy can significantly reduce critical load shedding under varying event propagation scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Toward quantum networking with frequency-bin qudits

Quantum networking holds tremendous promise in transforming computation and communication. Entangled-photon sources are critical for quantum repeaters and networking, while photonic integrated circuits are vital for miniaturization and scalability. In this talk, we focus on generating and manipulating frequency-bin entangled states within integrated platforms. We encode quantum information as a coherent superposition of multiple optical frequencies; this approach is favorable due to its amenability to high-dimensional entanglement and compatibility with fiber transmission. We successfully generate and measure the density matrix of biphoton frequency combs from integrated silicon nitride microrings, fully reconstructing the state in an 8 × 8 two-qudit Hilbert space, the highest so far for frequency bins. Moreover, we employ Vernier electro-optic phase modulation methods to perform time-resolved measurements of biphoton correlation functions. Currently, we are exploring bidirectional pumping of microrings to generate indistinguishable entangled pairs in both directions, aiming to demonstrate key networking operations such as entanglement swapping and Greenberger–Horne–Zeilinger state generation in the frequency domain.

Myilswamy, Karthik V.↗
DOE OSTI2024

Sensing Modalities Deployed - Acoustic

Acoustic approaches to OLM are based on analyzing changes in various forms of pressure waves propagating in solids, fluids or gases. These pressure waves can vary in frequency content from infrasound (seismic events) to the megahertz region (acoustic emissions). A wide variety of commercially available pressure or stain sensing devices are used to make acoustic measurements. These sensors differ in the transduction mechanism used to convert the pressure or strain signal to an electrical output, the sensitivity, dynamic range, bandwidth, directional characteristics, and physical size. All acoustic sensors must be integrated with signal conditioning electronics to convert the sensors’ analog output to discrete digital signals that can then be further analyzed for OLM. Ultimately, the sensing properties listed above will be a function of the sensor transduction mechanism, the sensor design and the conditioning electronics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Entropy Pair Functional Theory: Direct Entropy Evaluation Spanning Phase Transitions

We prove that, within the class of pair potential Hamiltonians, the excess entropy is a universal, temperature-independent functional of the density and pair correlation function. This result extends Henderson’s theorem, which states that the free energy is a temperature dependent functional of the density and pair correlation. The stationarity and concavity of the excess entropy functional are discussed and related to the Gibbs–Bugoliubov inequality and to the free energy. We apply the Kirkwood approximation, which is commonly used for fluids, to both fluids and solids. Approximate excess entropy functionals are developed and compared to results from thermodynamic integration. The pair functional approach gives the absolute entropy and free energy based on simulation output at a single temperature without thermodynamic integration. We argue that a functional of the type, which is strictly applicable to pair potentials, is also suitable for first principles calculation of free energies from Born–Oppenheimer molecular dynamics performed at a single temperature. In conclusion, this advancement has the potential to reduce the evaluation the free energy to a simple modification to any procedure that evaluates the energy and the pair correlation function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗