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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Twelve Ways to Fool the Masses When Giving Parallel-in-Time Results

Getting good speedup—let alone high parallel efficiency—for parallel-in-time (PinT) integration examples can be frustratingly difficult. The high complexity and large number of parameters in PinT methods can easily (and unintentionally) lead to numerical experiments that overestimate the algorithm’s performance. In the tradition of Bailey’s article “Twelve ways to fool the masses when giving performance results on parallel computers”, we discuss and demonstrate pitfalls to avoid when evaluating the performance of PinT methods. Despite being written in a light-hearted tone, this paper is intended to raise awareness that there are many ways to unintentionally fool yourself and others and that by avoiding these fallacies more meaningful PinT performance results can be obtained.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The Kokkos OpenMPTarget Backend: Implementation and Lessons Learned

As the supercomputing landscape diversifies, solutions such as Kokkos to write vendor agnostic applications and libraries have risen in popularity. Kokkos provides a programming model designed for performance portability, which allows developers to write a single source implementation that can run efficiently on various architectures. At its heart, Kokkos maps parallel algorithms to architecture and vendor specific backends written in lower level programming models such as CUDA and HIP. Another approach to writing vendor agnostic parallel code is using OpenMP’s directives based approach, which lets developers annotate code to express parallelism. It is implemented at the compiler level and is supported by all major high performance computing vendors, as well as the primary Open Source toolchains GNU and LLVM. Since its inception, Kokkos has used OpenMP to parallelize on CPU architectures. In this paper, we explore leveraging OpenMP for a GPU backend and discuss the challenges we encountered when mapping the Kokkos APIs and semantics to OpenMP target constructs. As an exemplar workload we chose a simple conjugate gradient solver for sparse matrices. We find that performance on NVIDIA and AMD GPUs varies widely based on details of the implementation strategy and the chosen compiler. Furthermore, the performance of the OpenMP implementations decreases with increasing complexity of the investigated algorithms.

Gayatri, Rahulkumar↗
DOE OSTI2020

Entanglement wedge reconstruction using the Petz map

At the heart of recent progress in AdS/CFT is the question of subregion duality, or entanglement wedge reconstruction: which part(s) of the boundary CFT are dual to a given subregion of the bulk? This question can be answered by appealing to the quantum error correcting properties of holography, and it was recently shown that robust bulk (entanglement wedge) reconstruction can be achieved using a universal recovery channel known as the twirled Petz map. In short, one can use the twirled Petz map to recover bulk data from a subset of the boundary. However, this map involves an averaging procedure over bulk and boundary modular time, and hence it can be somewhat intractable to evaluate in practice. We show that a much simpler channel, the Petz map, is sufficient for entanglement wedge reconstruction for any code space of fixed finite dimension – no twirling is required. Moreover, the error in the reconstruction will always be non-perturbatively small. From a quantum information perspective, we prove a general theorem extending the use of the Petz map as a general-purpose recovery channel to subsystem and operator algebra quantum error correction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Loop amplitudes monodromy relations and color-kinematics duality

Color-kinematics duality is a remarkable conjectured property of gauge theory which, together with double copy, is at the heart of a wealth of new developments in scattering amplitudes. So far, its validity has been verified in most cases only empirically, with limited ab initio understanding beyond tree-level. In this paper we provide initial steps in a first-principle understanding of color-kinematics duality and double-copy at loop level, through a detailed analysis of the field-theory limit of the monodromy relations of string theory at one loop. In this limit, we dissect the type of Feynman graphs generated and the relations they obey. We find that graphs with contact-terms are unavoidable and are generated in the field theory limit of “bulk” contours which do not have a standard physical interpretation in string perturbation theory. We show how they are related to ambiguities in the definition of the loop momentum and that their role is precisely to cancel those ambiguities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Tissue Distribution of Mercury in the Bodies of Wild American Alligators ( Alligator mississippiensis ) from a Coastal Marsh in Louisiana (USA)

Total mercury (THg) concentrations were measured in wild alligators inhabiting a coastal marsh in southern Louisiana, to determine the tissue distribution of THg among various body organs and tissue compartments. Concentrations of THg in claws and dermal tail scutes were compared to those in blood, brain, gonad, heart, kidney, liver, and skeletal muscle to determine if the former tissues, commonly available by non-lethal sampling, could be used as measures of body burdens in various internal organs. Mercury was found in all body organs and tissue compartments. However, overall, THg concentrations measured in alligators were below the FDA action level for fish consumption and were comparable to previous data reported from southwestern Louisiana. Here, our results suggest consumption of meat from alligators found in this region may be of little public health concern. However, the extended period of time between sampling (in this study) and the present-day highlight the need for continuous, additional, and more recent sampling to ensure consumer safety. Total mercury concentrations were highest in the kidney (3.18 ± 0.69 mg/kg dw) and liver (3.12 ± 0.76 mg/kg dw). THg levels in non-lethal samples (blood, claws, and dermal tail scutes) were positively correlated with all tissue THg concentrations (blood: R 2 = 0.513 – 0.988; claw: R 2 = 0.347 – 0.637, scutes: R 2 = 0.333 – 0.649). Because THg concentrations from blood, claws, and scutes were correlated with those of the internal organs, non-lethal sampling methods may be a viable method of estimating levels of THg in other body tissues.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2021

A Case for Electron-Astrophysics

Abstract The smallest characteristic scales, at which electron dynamics determines the plasma behaviour, are the next frontier in space and astrophysical plasma research. The analysis of astrophysical processes at these scales lies at the heart of the research theme of electron-astrophysics. Electron scales are the ultimate bottleneck for dissipation of plasma turbulence, which is a fundamental process not understood in the electron-kinetic regime. In addition, plasma electrons often play an important role for the spatial transfer of thermal energy due to the high heat flux associated with their velocity distribution. The regulation of this electron heat flux is likewise not understood. By focussing on these and other fundamental electron processes, the research theme of electron-astrophysics links outstanding science questions of great importance to the fields of space physics, astrophysics, and laboratory plasma physics. In this White Paper, submitted to ESA in response to the Voyage 2050 call, we review a selection of these outstanding questions, discuss their importance, and present a roadmap for answering them through novel space-mission concepts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Facile healing of cracks in organic–inorganic halide perovskite thin films

Organic-inorganic halide perovskite (OIHP) thin films at the heart of the burgeoning thin-film perovskite solar cells (PSCs) technology possess poor mechanical properties, which is likely to limit the long-term reliability of PSCs as they are poised for commercialization. In an effort to address this issue, in this work we demonstrate that through-thickness cracks induced by bending-tension in thin films of the two prototypical OlHPs, methylammonium lead triiodide (MAPbl(3)) and formamidinium lead triiodide (FAPbl(3)), can be healed easily. This is through the application of either a moderate compressive stress (bending-compression) at room temperature or a simple heat-treatment at modest temperatures. The crack-healing process is found to be time-dependent, which indicates that facile mass-transport in OlHPs plays a key role in this phenomenon. An explanation for this phenomenon is provided, one based on the fundamentals of brittle fracture. This discovery has broad implications for the prevention and/or restoration of the overall performance, environmental stability, and mechanical reliability of PSCs, and other devices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Automated extraction of interfacial dislocations and disconnections from atomistic data

Here we introduce Interfacial Line Defect Analysis (ILDA), a method for identifying and extracting interfacial dislocations and disconnections with little-to-no input from the user on the nature of the interface. By simply providing the orientations and coherency strains for the crystals in a coherent reference state of the interface, ILDA provides exact Burgers vectors. Alternatively, these orientations and strains can be estimated using local atomic deformation gradients, making ILDA fully automated and providing estimated Burgers vectors. ILDA also determines the step height associated with each defect line segment, in case the associated defect is a disconnection. The heart of the method is the identification of atoms residing at co-incidence sites between the two crystals and the construction of a surface mesh connecting these sites that is used to compose Burgers circuits and insert defect line segments. We demonstrate the performance of ILDA in two test cases: a twist grain boundary and a phase boundary.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Experimental validation of the mechanistic scale-up methodology of gas–solid spouted beds using radioactive particle tracking (RPT)

The very high-temperature reactors (VHTRs) are highly ranked among candidates of Generation IV of nuclear reactors due to their high efficiency, safety, the resistance to proliferation, and reliability. The VHTRs are preferentially fueled by Tristructural-isometric (TRISO) coated fuel particles which has fuel kernels of fissile material coated by four coating layers: a porous buffer pyrolysis carbon layer (buffer PyC), an inner dense pyrolysis carbon layer (IPyC), a silicon carbide layer (SiC) and an outer dense pyrolysis carbon layer (OPyC). The heart of the operation and safety of the VHTRs significantly depends on the reliability of the coating layers of TRISO particles to retain metallic and gaseous fission products within the particles. The technique used for coating TRISO particles are gas-solids spouted beds via chemical vapor deposition (CVD). Fabrication of high-quality low-defect TRISO fuel particles fuel at larger scale spouted beds is required to support the commercialization of the VHTRs. In this work, our new developed mechanistic scale-up methodology of gas-solids spouted beds based on matching the radial profile of gas-holdup has been demonstrated and validated using radioactive particle tracking (RPT). Two spouted beds of small and larger scales were used in the study. Three sets of conditions were carried out which include the conditions of the reference case in the large scale, conditions that provide similar gas holdup radial profile to that of the reference case and conditions that provided dissimilar gas holdup radial in the small-scale spouted beds. The results confirm the validation of the scale-up methodology in terms of the dimensionless values of the spout diameter, cumulative probability distribution of the solids particles penetration into the spout, fraction of cycle time in each region of the bed, the radial profiles of the dimensionless values of the root-mean-square particle velocities and solids eddy diffusivity. Finally, the results further advance the knowledge and understanding of the gas-solids spouted beds provide deeper insight into their solids dynamics and presenting important benchmarking data for validating computational fluid dynamics codes and models. At last, procedures are established for the implementation of the new scale-up methodology.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Power spectrum and form factor in random diagonal matrices and integrable billiards

Triggered by a controversy surrounding a universal behavior of the power spectrum in quantum systems exhibiting regular classical dynamics, we focus on a model of random diagonal matrices (RDM), often associated with the Poisson spectral universality class, and examine how the power spectrum and the form factor get affected by two-sided truncations of RDM spectra. Having developed a nonperturbative description of both statistics, we perform their detailed asymptotic analysis to demonstrate explicitly how a traditional assumption (lying at the heart of the controversy) – that the power spectrum is merely determined by the spectral form factor – breaks down for truncated spectra. This observation has important consequences as we further argue that bounded quantum systems with integrable classical dynamics are described by heavily truncated rather than complete RDM spectra. High-precision numerical simulations of semicircular and irrational rectangular billiards lend independent support to these conclusions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Dynamics of disordered mechanical systems with large connectivity, free probability theory, and quasi-Hermitian random matrices

Disordered mechanical systems with high connectivity represent a limit opposite to the more familiar case of disordered crystals. Individual ions in a crystal are subjected essentially to nearest-neighbor interactions. In contrast, the systems studied in this paper have all their degrees of freedom coupled to each other. Thus, the problem of linearized small oscillations of such systems involves two full positive-definite and non-commuting matrices, as opposed to the sparse matrices associated with disordered crystals. Consequently, the familiar methods for determining the averaged vibrational spectra of disordered crystals, introduced many years ago by Dyson and Schmidt, are inapplicable for highly connected disordered systems. In this paper we apply random matrix theory (RMT) to calculate the averaged vibrational spectra of such systems, in the limit of infinitely large system size. At the heart of our analysis lies a calculation of the average spectrum of the product of two positive definite random matrices by means of free probability theory techniques. We also show that this problem is intimately related with quasi-hermitian random matrix theory (QHRMT), which means that the ‘hamiltonian’ matrix is hermitian with respect to a non-trivial metric. This extends ordinary hermitian matrices, for which the metric is simply the unit matrix. The analytical results we obtain for the spectrum agree well with our numerical results. The latter also exhibit oscillations at the high-frequency band edge, which fit well the Airy kernel pattern. We also compute inverse participation ratios of the corresponding amplitude eigenvectors and demonstrate that they are all extended, in contrast with conventional disordered crystals. Finally, we compute the thermodynamic properties of the system from its spectrum of vibrations. In addition to matrix model analysis, we also study the vibrational spectra of various multi-segmented disordered pendula, as concrete realizations of highly connected mechanical systems. A universal feature of the density of vibration modes, common to both pendula and the matrix model, is that it tends to a non-zero constant at vanishing frequency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Design, construction, and test of the Gas Pixel Detectors for the IXPE mission

Due to be launched in late 2021, the Imaging X-ray Polarimetry Explorer (IXPE) is a NASA Small Explorer mission designed to perform polarization measurements in the 2–8 keV band, complemented with imaging, spectroscopy and timing capabilities. At the heart of the focal plane is a set of three polarization-sensitive Gas Pixel Detectors (GPD), each based on a custom ASIC acting as a charge-collecting anode. In this paper we shall review the design, manufacturing, and test of the IXPE focal-plane detectors, with particular emphasis on the connection between the science drivers, the performance metrics and the operational aspects. We shall present a thorough characterization of the GPDs in terms of effective noise, trigger efficiency, dead time, uniformity of response, and spectral and polarimetric performance. In addition, we shall discuss in detail a number of instrumental effects that are relevant for high-level science analysis—particularly as far as the response to unpolarized radiation and the stability in time are concerned.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

A framework for challenges and solutions in biodesign research

The bioeconomy represents an advanced economic paradigm that builds upon previous agricultural, industrial, and digital economic models. It seeks to tackle critical global challenges such as resource scarcity, escalating healthcare demands, and environmental degradation. At the heart of the bioeconomy is biomanufacturing, which uses natural or engineered enzymes or cell factories built from ​biological components like promoters, terminators, regulatory sequences, reporters, and functional genes into various chassis hosts (including animal, microbial, plant, and de novo systems) to create products such as food, energy, medicine, materials, chemicals, and engineered tissue/organs. An enabler of biomanufacturing is biodesign – also known as biosystems design and closely related to synthetic biology or engineering biology. This interdisciplinary field aims to understand and predictably modify existing life forms or create entirely new biological entities/systems using rational engineering strategies and automated design tools. Through these capabilities, biodesign supports the discovery, optimization, and creation of efficient platforms for biomanufacturing.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

HomPINNs: Homotopy physics-informed neural networks for learning multiple solutions of nonlinear elliptic differential equations

Physics-informed neural networks (PINNs) based machine learning is an emerging framework for solving nonlinear differential equations. However, due to the implicit regularity of neural network structure, PINNs can only find the flattest solution in most cases by minimizing the loss functions. In this paper, we combine PINNs with the homotopy continuation method, a classical numerical method to compute isolated roots of polynomial systems, and propose a new deep learning framework, named homotopy physics-informed neural networks (HomPINNs), for solving multiple solutions of nonlinear elliptic differential equations. The implementation of an HomPINN is a homotopy process that is composed of the training of a fully connected neural network, named the starting neural network, and training processes of several PINNs with different tracking parameters. The starting neural network is to approximate a starting function constructed by the trivial solutions, while other PINNs are to minimize the loss functions defined by boundary condition and homotopy functions, varying with different tracking parameters. These training processes are regraded as different steps of a homotopy process, and a PINN is initialized by the well-trained neural network of the previous step, while the first starting neural network is initialized using the default initialization method. Finally, several numerical examples are presented to show the efficiency of our proposed HomPINNs, including reaction-diffusion equations with a heart-shaped domain.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Towards fast-charging high-energy lithium-ion batteries: From nano- to micro-structuring perspectives

Electric vehicles (EVs) have been playing an indispensable role in reducing greenhouse gas emissions for our modern society. However, current EVs are difficult to meet people’s diverse travel needs, especially in long endurance and fast-charging capacities. At the heart of this issue is the physicochemical limit of current lithium-ion batteries (LIBs), which are the core parts for powering the vehicles. Hence, LIBs with simultaneous high energy and power are critically required to further promote the development of EVs. Here, in this review, we first summarize the key electrochemical processes in electrochemical reactions which lead to the corresponding overpotentials in or between multiple battery components. Furthermore, numerical simulations are employed to quantitatively analyze the effects of versatile electrode parameters on electrochemical properties in high-energy NMC811//graphite systems. On the basis of the in-depth understandings from simulation, recent experimental efforts on designing electroactive materials and electrode architectures across multiple length scales are discussed. Among them, nano-structuring can promote local mass transport and stabilize the interfaces at the particle level, while micro-structuring can establish efficient pathways for charge carriers at the electrode level. Finally, we conclude that a tight feedback loop among structure engineering, characterization and simulation should be followed to speed up the understanding of the deficiencies existing in current electrode designs as well as point out the possible electrode optimization routes for next-generation fast-charging LIBs.

25 ENERGY STORAGE↗
DOE OSTI2024

Diversifying hierarchical ionic assembly by docking cations to anions as salt bridges

Here, we expand the diversity of building blocks available for ionic assembly by introducing tertiary (3°) ammonium cations into anion complexes. We use proton transfer between 3° amines and organo-phosphoric acids to generate H-bonding cations (R 3 NH + ) and anions (RHPO 4 – ) that co-assemble with cyanostar macrocycles into assemblies with 2:2:2 stoichiometry. At the heart is a supramolecular dimer where phosphate anions form salt bridges by H-bonding with cations. Unlike conventional 4° ammonium cations, 3,000 commercial amines provide diversity for high-throughput screening of 72 combinations (9 nitrogen bases and 8 acids), producing 13 privileged partners for quantitative assembly. Yields depend on the solvent and sterics of salt bridge formation. Ten more nitrogen bases connect to fluorophores (pyrene), photocatalysts (quinoline), drugs (Cipralex, Zytiga), and ionic liquids (imidazole). The synthesis and examination of 82 new salts exemplify how acid-base chemistry can open a pipeline to a diversity of building blocks for exploring hierarchical ionic assembly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Comparison of Machine Learning and Deep Learning for View Identification from Cardiac Magnetic Resonance Images

Background: Artificial intelligence is increasingly utilized to aid in the interpretation of cardiac magnetic resonance (CMR) studies. One of the first steps is the identification of the imaging plane depicted, which can be achieved by both deep learning (DL) and classical machine learning (ML) techniques without user input. We aimed to compare the accuracy of ML and DL for CMR view classification and to identify potential pitfalls during training and testing of the algorithms. Methods: To train our DL and ML algorithms, we first established datasets by retrospectively selecting 200 CMR cases. The models were trained using two different cohorts (passively and actively curated) and applied data augmentation to enhance training. Once trained, the models were validated on an external dataset, consisting of 20 cases acquired at another center. We then compared accuracy metrics and applied class activation mapping (CAM) to visualize DL model performance. Results: The DL and ML models trained with the passively-curated CMR cohort were 99.1% and 99.3% accurate on the validation set, respectively. However, when tested on the CMR cases with complex anatomy, both models performed poorly. After training and testing our models again on all 200 cases (active cohort), validation on the external dataset resulted in 95% and 90% accuracy, respectively. The CAM analysis depicted heat maps that demonstrated the importance of carefully curating the datasets to be used for training. Conclusions: Both DL and ML models can accurately classify CMR images, but DL outperformed ML when classifying images with complex heart anatomy.

artificial intelligence↗
DOE OSTI2025

MetaHeart: Metasurface enabled biometrics camouflage

Privacy-invading biometrics monitoring is becoming a prominent security threat as modern sensing systems move to higher operating frequencies (mmWave, sub-THz), increasing sensing resolution and accuracy. As such, developing systems that can protect or obfuscate biometrics from adversarial intrusion becomes pivotal to preserving user privacy. In this work, we develop and implement MetaHeart, a real-time biometrics misinformation system based on reflective, programmable metasurfaces and dynamic phase-front manipulation of radar inferences. MetaHeart’s key goal is to prevent the leakage of a legitimate user’s heartbeat biometrics by spoofing fake heartbeat signals at a malicious, radar-equipped, heart rate sensing intruder. Furthermore, we experimentally demonstrate MetaHeart’s ability to fake Alice’s presence when she is not there and to fool Trudy’s inferences even when Alice is present, achieving an overall accuracy above 98%. Finally, we conduct a robustness analysis to determine MetaHeart’s required spatial placement within the intruder’s monitoring area that would allow for effective spoofing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗