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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Cyber Protection of Grid-Connected Devices Through Embedded Online Security

Cybersecurity research regarding the electric power grid has primarily been focused on protecting the communication layer of grid-connected devices against cyber-attack threats. Although many developed methods have greatly reduced the effects of a cyber-attack on the vulnerabilities of grid-connected devices, discovering new vulnerabilities is inevitable and a constant threat. As a result, the overall reliability and security of network communications with regard to grid-connected devices is a concern. Here, this paper proposes a method that further secures a system by focusing on the control and hardware layer of grid-connected devices. The device’s controller firmware will be validated and authenticated using integrated device emulation resources prior to being activated to control the grid-connected device. This verification process is performed while the controller is online and actively controlling power flows related to the device. Therefore, an attack to the system through a malicious firmware patch would be detected by the online security and rejected while safely maintaining continuous and stable control of the device. This method integrates the concepts of firmware hot-patching, digital twins, and active monitoring into an overall cybersecurity protection system.

cybersecurity↗
DOE OSTI2014

DISCOVERY OF Hα EMISSION FROM THE CLOSE COMPANION INSIDE THE GAP OF TRANSITIONAL DISK HD 142527

We utilized the new high-order 585 actuator Magellan Adaptive Optics system (MagAO) to obtain very high-resolution visible light images of HD 142527 with MagAO's VisAO science camera. In the median seeing conditions of the 6.5 m Magellan telescope (0.''5–0.''7), we find MagAO delivers 24%-19% Strehl at Hα (0.656 μm). We detect a faint companion (HD 142527B) embedded in this young transitional disk system at just 86.3 ± 1.9 mas (∼12 AU) from the star. The companion is detected in both Hα and a continuum filter (Δmag = 6.33 ± 0.20 mag at Hα and 7.50 ± 0.25 mag in the continuum filter). This provides confirmation of the tentative companion discovered by Biller and co-workers with sparse aperture masking at the 8 m Very Large Telescope. The Hα emission from the ∼0.25 solar mass companion (EW = 180 Å) implies a mass accretion rate of ∼5.9 × 10{sup –10} M {sub sun} yr{sup –1} and a total accretion luminosity of 1.2% L {sub sun}. Assuming a similar accretion rate, we estimate that a 1 Jupiter mass gas giant could have considerably better (50-1000×) planet/star contrasts at Hα than at the H band (COND models) for a range of optical extinctions (3.4-0 mag). We suggest that ∼0.5-5 M {sub jup} extrasolar planets in their gas accretion phase could be much more luminous at Hα than in the NIR. This is the motivation for our new MagAO GAPplanetS survey for extrasolar planets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

From clutter to clarity: Emergent neural operators via questionnaire metrics

Real-world datasets in chemical engineering and bioengineering processes—such as those from catalytic reactors, multiphase flows, polymerization reactors, bioreactors, and clinical trials—can often be unlabeled or disorganized, rendering the training of existing supervised learning models ineffective at learning the underlying dynamics. To salvage these datasets for decision-making, we first seek to obtain clarity from the cluttered data. Here, we present a framework for developing “structural” generative models, discovering emergent equations, and constructing efficient emulators from scrambled datasets by integrating unsupervised organizational learning techniques (Questionnaires) with advanced deep learning architectures (Deep Hidden Physics Models and Deep Operator Networks). Our approach is demonstrated on two illustrative model systems: (a) a 1D advection–diffusion partial differential equation representing a winding underground pipe and (b) an ensemble of Stuart–Landau oscillators, an agent-based system of coupled ordinary differential equations. In both cases, we successfully reconstruct meaningful spatial, temporal, and parameter embeddings from scrambled data, enabling good predictions of system dynamics. As a result, we highlight the framework’s potential for broader applications, enabling data-driven system identification in fields with inherently disorganized or hidden parameter spaces.

42 ENGINEERING↗
DOE OSTI2022

Development of an Experimental Approach to Achieve Spatially Resolved Plant Root-Associated Metaproteomics Using an Agar-Plate System

Plant–microbe interactions in the rhizosphere play a vital role in plant health and productivity. The composition and function of root-associated microbiomes is strongly influenced by their surrounding environment, which is often customized by their host. How microbiomes change with respect to space and time across plant roots remains poorly understood, and methodologies that facilitate spatiotemporal metaproteomic studies of root-associated microbiomes are yet to be realized. Here, we developed a method that provides spatially resolved metaproteome measurements along plant roots embedded in agar-plate culture systems, which have long been used to study plants. Spatially defined agar “plugs” of interest were excised and subsequently processed using a novel peptide extraction method prior to metaproteomics, which was used to infer both microbial community composition and function. As a proof-of-principle, a previously studied 10-member community constructed from a Populus root system was grown in an agar plate with a 3-week-old Populus trichocarpa plant. Metaproteomics was performed across two time points (24 and 48 h) for three distinct locations (root base, root tip, and a region distant from the root). The spatial resolution of these measurements provides evidence that microbiome composition and expression changes across the plant root interface. Interrogation of the individual microbial proteomes revealed functional profiles related to their behavioral associations with the plant root, in which chemotaxis and augmented metabolism likely supported predominance of the most abundant member. This study demonstrated a novel peptide extraction method for studying plant agar-plate culture systems, which was previously unsuitable for (meta)proteomic measurements.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Hypergames and Cyber-Physical Security for Control Systems

The identification of the Stuxnet worm in 2010 provided a highly publicized example of a cyber attack that physically damaged an industrial control system. This raised public awareness about the possibility of similar attacks against other industrial targets—including critical infrastructure. Here, we use hypergames to analyze how strategic perturbations of sensor readings and calibrated parameters can be used to manipulate a system that employs optimal control. Hypergames form an extension of game theory that enables us to model strategic interactions where the players may have significantly different perceptions of the game(s) they are playing. Past work with hypergames has focused on relatively simple interactions consisting of a small set of discrete choices for each player. Here, we apply single-stage hypergames to larger systems with continuous variables. We find that manipulating constraints can be a more effective attacker strategy than manipulating objective function parameters. Moreover, the attacker need not change the underlying system to carry out a successful attack—it may be sufficient to deceive the defender controlling the system. It is possible to scale our approach up to even larger systems, but this will depend on the characteristics of the system in question, and we identify several characteristics that will make those systems amenable to hypergame analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Impact of a New Cloud Microphysics Parameterization on the Simulations of Mesoscale Convective Systems in E3SM

Abstract Mesoscale convective systems (MCSs) are one of the most climatically significant forms of convection because of their large role in water and energy cycles. The mesoscale features associated with MCS are difficult to represent in climate models because the relevant dynamics and physics are absent or poorly represented with coarse model resolution (∼100 km). Using a regionally refined model (RRM) with 0.25° grid spacing embedded in the Energy Exascale Earth System Model (E3SM), we explore the impact of cloud microphysics parameterizations on the simulation of precipitation, particularly MCS precipitation over the contiguous United States. The Predicted Particle Properties (P3) cloud microphysics scheme has been modified and implemented into E3SM to overcome the limitations of the default Morrison and Gettelman (MG2) scheme in which rimed precipitating ice particles (graupel/hail) are absent and frozen particles are artificially partitioned into cloud ice and snow. We show that P3 improves the simulation of precipitation statistics including frequency distribution compared with MG2 with a limited effect on the diurnal cycle. P3 predicts higher hourly rain rates, resulting in 20% more MCSs and a higher total MCS precipitation (4.4%) compared to MG2, agreeing better with observations. The improvements with P3 mainly result from improved representations of ice microphysics, which not only produces higher rain rates through melting but also leads to a stronger large‐scale ascending motion by releasing more latent heating. This study suggests that improving microphysics parameterization is important for simulating MCS precipitation as future climate model resolutions continue to increase.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Corrosion Monitoring in an Irradiated/Used Fuel Dry Storage Container - 19193

A corrosion monitoring system was developed to monitor the corrosion behaviour of steel components embedded in the high density concrete of a Dry Storage Container (DSC). The DSC is a free-standing reinforced concrete container, with an inner carbon-steel liner and an outer carbon-steel shell, for the storage, on-site transfer and off-site transportation of irradiated Candu fuel. Normally, uncontaminated concrete is benign with regards to embedded steel components because high alkalinity in the concrete leads to formation of a passive film on the steel surface, which prevents excessive metal loss. However, corrosion of steel in concrete may be promoted by one or more of local concentration of chloride ions or local loss of alkalinity. For the DSC, it is recognized that the above mechanism(s) are unlikely, however, if any did exist, the corrosion mechanisms that could then occur would include corrosion of carbon steel components and stress corrosion cracking of 304L stainless steel components. In order to confirm that these unlikely events are not occurring, Ontario Power Generation has undertaken a project to investigate the corrosion behaviour of metallic components embedded in the DSC's high density concrete. A corrosion monitoring system that can be installed within the concrete space of a DSC was designed and installed to monitor changes in temperature, corrosion potential, corrosion rate, and electrochemical noise. The corrosion monitoring system was commissioned in July 2012, followed by the commencement of monitoring and measurements. The corrosion data, collected for the three years from year 2012 to 2015, were analyzed. It was concluded that the corrosion rates of both carbon steel and stainless steel within the DSC are very low and consistent with the intended minimum operational life of the DSC. The monitoring system as a whole has allowed a systematic and long term judgement regarding the conditions within the DSCs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states

We report a new implementation of the density functional embedding theory (DFET) in the VASP code, using the projector-augmented-wave (PAW) formalism. Newly developed algorithms allow us to efficiently perform optimized effective potential optimizations within PAW. The new algorithm generates robust and physically correct embedding potentials, as we verified using several test systems including a covalently bound molecule, a metal surface, and bulk semiconductors. We show that with the resulting embedding potential, embedded cluster models can reproduce the electronic structure of point defects in bulk semiconductors, thereby demonstrating the validity of DFET in semiconductors for the first time. Compared to our previous version, the new implementation of DFET within VASP affords use of all features of VASP (e.g., a systematic PAW library, a wide selection of functionals, a more flexible choice of U correction formalisms, and faster computational speed) with DFET. Furthermore, our results are fairly robust with respect to both plane-wave and Gaussian type orbital basis sets in the embedded cluster calculations. This suggests that the density functional embedding method is potentially an accurate and efficient way to study properties of isolated defects in semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Elasticity-induced force reversal between active spinning particles in dense passive media

The self-organization of active particles is governed by their dynamic effective interactions. Such interactions are controlled by the medium in which such active agents reside. Here we study the interactions between active agents in a dense non-active medium. Our system consists of actuated, spinning, active particles embedded in a dense monolayer of passive, or non-active, particles. We demonstrate that the presence of the passive monolayer alters markedly the properties of the system and results in a reversal of the forces between active spinning particles from repulsive to attractive. The origin of such reversal is due to the coupling between the active stresses and elasticity of the system. This discovery provides a mechanism for the interaction between active agents in complex and structured media, opening up opportunities to tune the interaction range and directionality via the mechanical properties of the medium.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Scalable semidefinite programming approach to variational embedding for quantum many-body problems

In quantum embedding theories, a quantum many-body system is divided into localized clusters of sites which are treated with an accurate ‘high-level’ theory and glued together self-consistently by a less accurate ‘low-level’ theory at the global scale. The recently introduced variational embedding approach for quantum many-body problems combines the insights of semidefinite relaxation and quantum embedding theory to provide a lower bound on the ground-state energy that improves as the cluster size is increased. The variational embedding method is formulated as a semidefinite program (SDP), which can suffer from poor computational scaling when treated with black-box solvers. Here, we exploit the interpretation of this SDP as an embedding method to develop an algorithm which alternates parallelizable local updates of the high-level quantities with updates that enforce the low-level global constraints. Moreover, we show how translation invariance in lattice systems can be exploited to reduce the complexity of projecting a key matrix to the positive semidefinite cone.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Safe Physics-Informed Machine Learning for Dynamics and Control

This tutorial paper focuses on safe physics-informed machine learning in the context of dynamics and control, providing a comprehensive overview of how to integrate physical models and safety guarantees. As machine learning techniques enhance the modeling and control of complex dynamical systems, ensuring safety and stability remains a critical challenge, especially in safety-critical applications like autonomous vehicles, robotics, medical decision-making, and energy systems. We explore various approaches for embedding and ensuring safety constraints, including structural priors, Lyapunov and Control Barrier Functions, predictive control, projections, and robust optimization techniques. Additionally, we delve into methods for uncertainty quantification and safety verification, including reachability analysis and neural network verification tools, which help validate that control policies remain within safe operating bounds even in uncertain environments. The paper includes illustrative examples demonstrating the implementation aspects of safe learning frameworks that combine the strengths of data-driven approaches with the rigor of physical principles, offering a path toward the safe control of complex dynamical systems.

Drgona, Jan↗
DOE OSTI2018

High Temperature 300°C Measurement While Drilling System

Many countries around the world, including the USA, have untapped geothermal energy potential. Enhanced Geothermal Systems (EGS) technology is needed to economically utilize this resource. Temperatures in some EGS reservoirs can exceed 300°C. To effectively utilize EGS resources, an array of injection and production wells must be accurately placed in the formation fracture network. Therefore, EGS can greatly benefit from a high temperature directional drilling system. Most commercial services for directional drilling systems are rated for 175°C while geothermal wells require operation at much higher temperatures. Two U.S. Department of Energy (DOE) Geothermal Technologies Office (GTO) projects have been initiated to develop a 300°C capable directional drilling system, the first developing a drill bit, directional motor, and drilling fluid (award number DE-EE0002782), and the second adding navigation and telemetry systems. This report is for the second project, “High Temperature 300°C Measurement While Drilling System”, award number DE-EE0005505. The “High Temperature 300°C Measurement While Drilling (MWD)” system complements the already developed drilling system with real time navigation capability. It is comprised of 175°C directional measurement electronics including the required sensors for measuring inclination and azimuth in 3 axes. It is embedded in a cooling and temperature isolation system to protect the electronics and sensors from the higher temperature outside the system, which can reach 300°C. Building the cooling and isolation system from non-magnetic materials and keeping a required distance to any magnetic component, such as alternator parts, ensures a high quality measurement of the earth’s magnetic field. This is required to achieve the specified navigation accuracy. The MWD system has a turbine driven alternator that is capable of delivering the required electrical energy to the electronic system at a 300°C borehole temperature. Measured data will be communicated to the surface by mud-pulse-telemetry. For this purpose the tool has a mud-pulse-valve that is controlled by the measurement electronics to establish a serial data communication via the mud stream. The mud-pulse-valve is also built to operate under 300°C borehole conditions. Three prototypes of the 300°C MWD were built and tested. These systems are available for a joint application with the previously developed 300°C drilling system, in a geothermal well.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Structural insights into the assembly and the function of the plant oxidative phosphorylation system

One of the key functions of mitochondria is the production of ATP to support cellular metabolism and growth. The last step of mitochondrial ATP synthesis is performed by the oxidative phosphorylation (OXPHOS) system, an ensemble of protein complexes embedded in the inner mitochondrial membrane. In the last 25 yr, many structures of OXPHOS complexes and supercomplexes have been resolved in yeast, mammals, and bacteria. However, structures of plant OXPHOS enzymes only became available very recently. In this review, we highlight the plant-specific features revealed by the recent structures and discuss how they advance our understanding of the function and assembly of plant OXPHOS complexes. Here we also propose new hypotheses to be tested and discuss older findings to be re-evaluated. Further biochemical and structural work on the plant OXPHOS system will lead to a deeper understanding of plant respiration and its regulation, with significant agricultural, environmental, and societal implications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Ag/ZnO hybrid systems studied with scanning tunnelling microscopy-based luminescence spectroscopy

Coupled metal/oxide systems are prepared by depositing and embedding Ag nanoparticles into crystalline ZnO films grown on Au(111) supports. The morphology and optical properties of the compounds are investigated by topographic imaging and luminescence spectroscopy performed in a scanning tunnelling microscope (STM). The luminescence of bare ZnO is governed by the band-recombination and a Zn-vacancy related peak. After Ag deposition, two additional maxima are detected that are assigned to the in-plane and out-of-plane plasmon in Ag nanoparticles and have energies below and slightly above the oxide band-gap, respectively. Upon coating the particles with additional ZnO, the out-of-plane plasmon redshifts and loses intensity, indicating strong coupling to the oxide electronic system, while the in-plane mode broadens but remains detectable. The original situation can be restored by gently heating the sample, which drives the silver back to the surface. However, the optical response of pristine ZnO is not recovered even after silver evaporation at high temperature. Small discrepancies are explained with changes in the ZnO defect landscape, e.g., due to silver incorporation. Our experiments demonstrate how energy-transfer processes can be investigated in well-defined metal/oxide systems by means of STM-based spectroscopic techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

High-resolution multicontrast tomography with an X-ray microarray anode–structured target source

Multicontrast X-ray imaging with high resolution and sensitivity using Talbot–Lau interferometry (TLI) offers unique imaging capabilities that are important to a wide range of applications, including the study of morphological features with different physical properties in biological specimens. The conventional X-ray TLI approach relies on an absorption grating to create an array of micrometer-sized X-ray sources, posing numerous limitations, including technical challenges associated with grating fabrication for high-energy operations. We overcome these limitations by developing a TLI system with a microarray anode–structured target (MAAST) source. The MAAST features an array of precisely controlled microstructured metal inserts embedded in a diamond substrate. Using this TLI system, tomography of a Drum fish tooth with high resolution and tri-contrast (absorption, phase, and scattering) reveals useful complementary structural information that is inaccessible otherwise. The results highlight the exceptional capability of high-resolution multicontrast X-ray tomography empowered by the MAAST-based TLI method in biomedical applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

A study of polaritonic transparency in couplers made from excitonic materials

We have studied light matter interaction in quantum dot and exciton-polaritonic coupler hybrid systems. The coupler is made by embedding two slabs of an excitonic material (CdS) into a host excitonic material (ZnO). An ensemble of non-interacting quantum dots is doped in the coupler. The bound exciton polariton states are calculated in the coupler using the transfer matrix method in the presence of the coupling between the external light (photons) and excitons. These bound exciton-polaritons interact with the excitons present in the quantum dots and the coupler is acting as a reservoir. The Schrödinger equation method has been used to calculate the absorption coefficient in quantum dots. It is found that when the distance between two slabs (CdS) is greater than decay length of evanescent waves the absorption spectrum has two peaks and one minimum. The minimum corresponds to a transparent state in the system. However, when the distance between the slabs is smaller than the decay length of evanescent waves, the absorption spectra has three peaks and two transparent states. In other words, one transparent state can be switched to two transparent states when the distance between the two layers is modified. This could be achieved by applying stress and strain fields. It is also found that transparent states can be switched on and off by applying an external control laser field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Multi-site reaction dynamics through multi-fragment density matrix embedding

The practical description of disordered chemical reactions, where the reactions involve multiple species at multiple sites, is presently a challenge using correlated electronic structure methods due to their high computational cost and steep scaling. Here, we describe the gradient theory of multi-fragment density matrix embedding theory, which potentially provides a minimal computational framework to model such processes at the correlated electron level. We present the derivation and implementation of the gradient theory, its validation on model systems and chemical reactions using density matrix embedding, and its application to a molecular dynamics simulation of proton transport in a small water cluster, a simple example of multi-site reaction dynamics.

Chemistry↗