SEARCH · Search NASA

Results for “similarity principles”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15

All sources NASA NTRS DOE OSTI

NASA NTRS2016

Empirical Modeling of the Storm Time Innermost Magnetosphere Using Van Allen Probes and THEMIS Data: Eastward and Banana Currents

The structure of storm time currents in the inner magnetosphere, including its innermost region inside 4R(sub E), is studied for the first time using a modification of the empirical geomagnetic field model TS07D and new data from Van Allen Probes and Time History of Events and Macroscale Interactions during Substorms missions. It is shown that the model, which uses basis-function expansions instead of ad hoc current modules to approximate the magnetic field, consistently improves its resolution and magnetic field reconstruction with the increase of the number of basis functions and resolves the spatial structure and evolution of the innermost eastward current. This includes a connection between the westward ring current flowing largely at R > or approx. 3R(sub E) and the eastward ring current concentrated at R < or approx. 3R(sub E) resulting in a vortex current pattern. A similar pattern coined 'banana current' was previously inferred from the pressure distributions based on the energetic neutral atom imaging and first-principles ring current simulations. The morphology of the equatorial currents is dependent on storm phase. During the main phase, it is complex, with several asymmetries forming banana currents. Near SYM-H minimum, the banana current is strongest, is localized in the evening-midnight sector, and is more structured compared to the main phase. It then weakens during the recovery phase resulting in the equatorial currents to become mostly azimuthally symmetric.

Stephens, G. K.↗

DOE OSTI2025

Photoinduced electronic excitations drive polymerization of carbon monoxide: A first-principles study

Under pressure, carbon monoxide (CO) transforms into a polymer that can be recovered to ambient conditions. While this transformation can occur without additional stimuli, experimental observations have shown that laser irradiation can induce a similar transformation at reduced pressure. The resulting polymeric phase, which is metastable under ambient conditions, releases energy through decomposition into more stable configurations. Using time-dependent density functional theory and Born–Oppenheimer molecular dynamics simulations, we investigate the mechanism by which electronic excitation facilitates CO polymerization. Our calculations reveal that electronic excitation enhances carbon–carbon bonding, enabling polymerization at pressures significantly lower than those required by conventional compression methods. In conclusion, these findings suggest that a photo-assisted approach could be employed to synthesize novel, potentially energetic materials under less demanding pressure conditions.

Born-Oppenheimer molecular dynamics↗

DOE OSTI2026

Integrating three plan evaluation approaches for coordinated heat resilience in cities across the Arizona urban corridor

Increasing heat poses a growing threat to cities worldwide due to both climate change and the urban heat island effect. While heat planning and governance are still emergent, research suggests that silos and conflicts within cities' networks of plans often impede heat resilience. Integrated heat resilience planning, therefore, requires a systematic and comprehensive analysis of the silos and conflicts relevant to heat resilience within networks of plans. This study is the first to combine three complementary plan evaluation methods to assess how cities' networks of plans address heat resilience. We applied 1) plan cross-referencing, 2) Plan Quality Evaluation for Heat Resilience, and 3) Plan Integration for Resilience Scorecard™ (PIRS™) for Heat to 19 plans from seven Arizona cities. We find similarities and differences in how these cities' networks of plans address heat hazards. The plans have consistently high-quality participation and coordination principles but lack details on vulnerability and climate change uncertainty, suggesting a need to move beyond immediate heat risks. We also identify opportunities to diversify policy mechanisms, spatially target high heat risk areas, and enhance the connection between planning efforts. These results validate that plan elements are interlinked and the importance of integrative plan development processes to improve heat resilience.

Extreme heat↗

DOE OSTI2021

Atypical phase-change alloy Ga 2 Te 3 : atomic structure, incipient nanotectonic nuclei, and multilevel writing

Emerging brain-inspired computing, including artificial optical synapses, photonic tensor cores, neuromorphic networks, etc., needs phase-change materials (PCMs) of the next generation with lower energy consumption and a wider temperature range for reliable long-term operation. Gallium tellurides with higher melting and crystallization temperatures appear to be promising candidates and enable achieving the necessary requirements. Here, using high energy X-ray diffraction and Raman spectroscopy supported by first-principles simulations, we show that vitreous g-Ga 2 Te 3 films essentially have a tetrahedral local structure and sp 3 hybridization, similar to those in the stable fcc Ga 2 Te 3 polymorph and in contrast to a vast majority of typical PCMs. Nevertheless, optical pump–probe laser experiments revealed high-contrast, fast and reversible multilevel SET-RESET transitions raising a question related to the phase change mechanism. A recently observed nanotectonic compression in bulk glassy Ga–Te alloys seems to be responsible for the PCM performance. Incipient nanotectonic nuclei, reminiscent of monoclinic high-pressure HP-Te II and rhombohedral HP-Ga 2 Te 3 , are present as minorities (2–4%) in g-Ga 2 Te 3 but are suggested to grow dramatically with increasing temperature while interacting with appropriate laser pulses. This leads to co-crystallization of HP-polymorphs amplified by a high internal local pressure reaching 4–8 GPa. The metallic HP-forms provide an increasing optical and electrical contrast, favorable for reliable PCM operations, and higher energy efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Numerical studies of collinear laser-assisted injection from a foil for plasma wakefield accelerators

We present a laser-assisted electron injection scheme for beam-driven plasma wakefield acceleration. The laser is collinear with the driver and triggers the injection of hot electrons into the plasma wake by interaction with a thin solid target. We present a baseline case using the AWAKE Run 2 parameters and then perform variations on key parameters to explore the scheme. It is found that the trapped witness electron charge may be tuned by altering laser parameters, with a strong dependence on the phase of the wake upon injection. Normalized emittance settles at the order of micrometres and varies with witness charge. The scheme is robust to misalignment, with a 1/10th plasma skin-depth offset ( 20 μ m for the AWAKE case) having a negligible effect on the final beam. The final beam quality is better than similar existing schemes, and several avenues for further optimization are indicated. The constraints on the AWAKE experiment are very specific, but the general principles of this mechanism can be applied to future beam-driven plasma wakefield accelerator experiments. Published by the American Physical Society 2024

Physics↗

DOE OSTI2022

Tuning between continuous time crystals and many-body scars in long-range XYZ spin chains.

Persistent oscillatory dynamics in nonequilibrium many-body systems is a tantalizing manifestation of ergodicity breakdown that continues to attract much attention. Recent works have focused on two classes of such systems: discrete time crystals and quantum many-body scars (QMBS). While both systems host oscillatory dynamics, its origin is expected to be fundamentally different: discrete time crystal is a phase of matter which spontaneously breaks the Z 2 symmetry of the external periodic drive, while QMBS span a subspace of nonthermalizing eigenstates forming an su(2) algebra representation. Here, we ask a basic question: is there a physical system that allows us to tune between these two dynamical phenomena? In contrast to much previous work, we investigate the possibility of a continuous time crystal (CTC) in undriven, energy-conserving systems exhibiting prethermalization. We introduce a long-range XYZ spin model and show that it encompasses both a CTC phase as well as QMBS. We map out the dynamical phase diagram using numerical simulations based on exact diagonalization and time-dependent variational principle in the thermodynamic limit. We identify a regime where QMBS and CTC order coexist, and we discuss experimental protocols that reveal their similarities as well as key differences.

Bull, Kieran↗

NASA NTRS1994

Electron Correlation in 4-Component Relativistic Calculations

The full 4-component Dirac-Coulomb equation can nowadays be used in molecular calculations, The first step in solving this relativistic many-electron equation usually consists of solving the closed or open-shell Diarc-Fock equations. Like in non-relativistic calculations the outcome does not account for the effects of electron correlation. This can in principle be remedied by developing relativistic variants of electron correlation methods like Configuration Interaction or Coupled Cluster. In this talk the differences and similarities of such relativistic approaches as compared to non-relativistic methods will be reviewed. Results of Configuration Interaction calculations on the PtH molecule and on the MeF(sub 6, sup 2-) (Me= Co, Rh, Ir) complexes will be presented to give an impression of the kind of results that currently can be obtained.

Visscher, Luuk↗

NASA NTRS1990

Toward applied behavior analysis of life aloft

This article deals with systems at multiple levels, at least from cell to organization. It also deals with learning, decision making, and other behavior at multiple levels. Technological development of a human behavioral ecosystem appropriate to space environments requires an analytic and synthetic orientation, explicitly experimental in nature, dictated by scientific and pragmatic considerations, and closely approximating procedures of established effectiveness in other areas of natural science. The conceptual basis of such an approach has its roots in environmentalism which has two main features: (1) knowledge comes from experience rather than from innate ideas, divine revelation, or other obscure sources; and (2) action is governed by consequences rather than by instinct, reason, will, beliefs, attitudes or even the currently fashionable cognitions. Without an experimentally derived data base founded upon such a functional analysis of human behavior, the overgenerality of "ecological systems" approaches render them incapable of ensuring the successful establishment of enduring space habitats. Without an experimentally derived function account of individual behavioral variability, a natural science of behavior cannot exist. And without a natural science of behavior, the social sciences will necessarily remain in their current status as disciplines of less than optimal precision or utility. Such a functional analysis of human performance should provide an operational account of behavior change in a manner similar to the way in which Darwin's approach to natural selection accounted for the evolution of phylogenetic lines (i.e., in descriptive, nonteleological terms). Similarly, as Darwin's account has subsequently been shown to be consonant with information obtained at the cellular level, so too should behavior principles ultimately prove to be in accord with an account of ontogenetic adaptation at a biochemical level. It would thus seem obvious that the most productive conceptual and methodological approaches to long-term research investments focused upon human behavior in space environments will require multidisciplinary inputs from such wide-ranging fields as molecular biology, environmental physiology, behavioral biology, architecture, sociology, and political science, among others.

Review↗

NASA NTRS2018

Demonstration of the Space Launch System Augmenting Adaptive Control Algorithm on Pole-Cart Platform

NASA's baseline Space Launch System (SLS) ight control system (FCS) includes an adaptive augmenting control (AAC) portion in addition to the ight-heritage nominal classical controller. The AAC algorithm is intended to improve the robustness and performance of the classical controller. Over the past several years, the AAC algorithm developed at NASA Marshall Space Flight Center (MSFC) has matured significantly through extensive simulation, rigorous analytical proofs, and a series of successful ight tests on a F18 aircraft. This study was part of a SLS program and NASA Engineering and Safety Center (NESC) joint e ort to further increase the confidence level of the AAC algorithm by demonstrating its key functionalities on a classroom type of example, the pole-cart sys- tem, at the NASA Langley Research Center (LaRC) dynamics and control laboratory. The fundamental dynamics behind balancing an inverted pendulum is similar to controlling an aerodynamically unstable rocket. Both systems are inherently open-loop unstable and requires feedback control for attitude stabilization. The principles behind the AAC algorithm is applicable to a wide range of conditionally stable dynamical systems. Hence, the outcomes from this simple and inexpensive exercise has provided the SLS program with additional confidence into the AAC design, operation, robustness, and application.

Pei, Jing↗

DOE OSTI2026

Many paths, similar destinations: viruses and bacterial microcompartments form polyhedra inside cells

A large number of biological entities assemble into icosahedral structures, and these are ubiquitous throughout nature. Examples include eukaryotic and prokaryotic viral capsids and more recently discovered bacterial microcompartments. Viral capsids and bacterial microcompartments are both composed of pentameric and hexameric subunits; however, they differ in the type of cargo they encapsulate: nucleic acid or protein. Also, both depart from strict icosahedral symmetry: while this is less common in viruses, among bacterial microcompartments, diverse and heterogeneous polyhedra are common. We review shared principles and key distinctions between the self-directed assembly of various icosahedral architectures and their polyhedral variants in nature and explore the concept that there are multiple paths, influenced by their cargo, to arriving at similar protein cage morphologies.

bacterial microcompartments↗

DOE OSTI2024

Polyamide-Based Ion Exchange Membranes: Cation-Selective Transport through Water Purification Membranes

Ion-selective membranes are necessary components of many electrochemical systems including fuel cells, electrolyzers, redox flow batteries, and electrodialyzers. Perfluorinated sulfonated membranes (PFSMs) dominate these applications due to their excellent combination of fast ion transport, stability, and processability. However, perfluorinated cation exchange membranes (CEMs) are expensive, and their production process involves chemistry that generates toxic perfluorinated chemicals. The development of affordable, nonfluorinated membranes with a competitive combination of high ion selectivity, transport, and stability could help enable the widespread use of the technologies listed above while hastening the development of emerging electrochemical systems, including aqueous alkaline CO 2 sorbent regeneration. To this end, we pursue the use of thin-film composite polyamide (PA-TFCs) membranes–those that typically find application in reverse osmosis and nanofiltration desalination–as cation-selective exchange membranes. Given their negative surface charge under neutral-to-alkaline conditions, PA-TFCs can serve as effective CEMs in these pH regimes. We prepared a series of PA-TFCs from traditional monomers (trimesoyl chloride and piperazine) and compared their thicknesses, charge densities, water transport properties, ion transport properties, and long-term stability in a high pH environment to traditional CEMs (Nafion and FKE) and commercial nanofiltration and reverse osmosis membranes. We find that some of the best-performing PA-TFC membranes have similar resistances and Na + transference numbers compared to Nafion 117 in Na 2 SO 4 and NaHCO 3 -containing solutions. This proof-of-principle study suggests that further optimization of PA-TFCs could enable cost-effective ion exchange membrane alternatives to PFSMs.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Dissociation of salts in water under pressure

The investigation of salts in water at extreme conditions is crucial to understanding the properties of aqueous fluids in the Earth. We report first principles (FP) and classical molecular dynamics simulations of NaCl in the dilute limit, at temperatures and pressures relevant to the Earth's upper mantle. Similar to ambient conditions, we observe two metastable states of the salt: the contact (CIP) and the solvent-shared ion-pair (SIP), which are entropically and enthalpically favored, respectively. We find that the free energy barrier between the CIP and SIP minima increases at extreme conditions, and that the stability of the CIP is enhanced in FP simulations, consistent with the decrease of the dielectric constant of water. The minimum free energy path between the CIP and SIP becomes smoother at high pressure, and the relative stability of the two configurations is affected by water self-dissociation, which can only be described properly by FP simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Phonon mixing in the charge density wave state of ScV6Sn6

Abstract Kagomé metals are widely recognized, versatile platforms for exploring topological properties, unconventional electronic correlations, magnetic frustration, and superconductivity. In the R V 6 Sn 6 family of materials ( R = Sc, Y, Lu), ScV 6 Sn 6 hosts an unusual charge density wave ground state as well as structural similarities with the A V 3 Sb 5 system ( A = K, Cs, Rb). In this work, we combine Raman scattering spectroscopy with first-principles lattice dynamics calculations to reveal phonon mixing processes in the charge density wave state of ScV 6 Sn 6 . In the low temperature phase, we find at least four new peaks in the vicinity of the V-containing totally symmetric mode near 240 cm −1 suggesting that the density wave acts to mix modes of P 6/ m m m and $$R\bar{3}m$$ R 3 ¯ m symmetry - a result that we quantify by projecting phonons of the high symmetry state onto those of the lower symmetry structure. We also test the stability of the short-range ordered density wave state under compression and propose that both physical and chemical pressure quench the effect. We discuss these findings in terms of symmetry and the structure-property trends that can be unraveled in this system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1978

Aerospace Medicine and Biology: A continuing bibliography with indexes, supplement 187

This supplement to Aerospace Medicine and Biology lists 247 reports, articles and other documents announced during November 1978 in Scientific and Technical Aerospace Reports (STAR) or in International Aerospace Abstracts (IAA). In its subject coverage, Aerospace Medicine and Biology concentrates on the biological, physiological, psychological, and environmental effects to which man is subjected during and following simulated or actual flight in the earth's atmosphere or in interplanetary space. References describing similar effects of biological organisms of lower order are also included. Emphasis is placed on applied research, but reference to fundamental studies and theoretical principles related to experimental development also qualify for inclusion. Each entry in the bibliography consists of a bibliographic citation accompanied in most cases by an abstract.

Source record↗

NASA NTRS1995

File-access characteristics of parallel scientific workloads

Phenomenal improvements in the computational performance of multiprocessors have not been matched by comparable gains in I/O system performance. This imbalance has resulted in I/O becoming a significant bottleneck for many scientific applications. One key to overcoming this bottleneck is improving the performance of parallel file systems. The design of a high-performance parallel file system requires a comprehensive understanding of the expected workload. Unfortunately, until recently, no general workload studies of parallel file systems have been conducted. The goal of the CHARISMA project was to remedy this problem by characterizing the behavior of several production workloads, on different machines, at the level of individual reads and writes. The first set of results from the CHARISMA project describe the workloads observed on an Intel iPSC/860 and a Thinking Machines CM-5. This paper is intended to compare and contrast these two workloads for an understanding of their essential similarities and differences, isolating common trends and platform-dependent variances. Using this comparison, we are able to gain more insight into the general principles that should guide parallel file-system design.

Nieuwejaar, Nils↗

DOE OSTI2021

Breaking atomic-level ordering via biaxial strain in functional oxides: A DFT study

Oxygen vacancies are found to play a crucial role in inducing many functional properties at the heterointerfaces in complex oxides. Gaining better control over the properties requires an understanding of the atomic structure of oxygen vacancies at the heterointerfaces. In this paper, we elucidate the effects of the interfacial strain on the oxygen-vacancy ordering in fluorite δ-Bi 2 O 3 and perovskite LaNiO 2.5 using first-principles calculations. By applying biaxial strains, we find that the <110>-<111> oxygen vacancy order in δ-Bi2O3 is broken, resulting in a faster diffusion of oxygen ions. Similarly, the biaxial strain is used to leverage both ordered and disordered arrangements of vacancies in LaNiO 2.5 . Besides the vacancy order, we find that the biaxial strain can also be used to break the cation order in Gd 2 Ti 2 O 7 , where Gd and Ti antisites can be created on the cation sublattice, which leads to enhanced radiation tolerance and higher oxygen diffusivity. Overall, these results indicate that the biaxial strain that is commonly present at heterointerfaces can be used to gain control over both ordered and disordered arrangements of defects, potentially opening new opportunities to functionalize complex oxides.

36 MATERIALS SCIENCE↗

DOE OSTI2020

MAPPER – A NOVEL CAPABILITY TO SUPPORT NUCLEAR MODEL VALIDATION AND MAPPING OF BIASES AND UNCERTAINTIES

This paper overviews the initial results of a new project at the Oak Ridge National Laboratory -- supported via an internal seed funding program -- focused on the development of a novel computational capability, called MAPPER, to support model validation. The MAPPER development aims to eliminate the need for empirical criteria, such as similarity indices, often employed to identify applicable experiments for given application conditions. To achieve that, MAPPER employs an information-theoretic-based approach, based on the Kullback-Leibler (KL) divergence principle, to combine responses of available or to-be-built experiments with application responses of interest using a training set of samples generated using randomized execution of the experiments and the application high fidelity analysis models. These samples are condensed using reduced order modeling techniques in the form of a joint probability distribution function (PDF) connecting each application response of interest with a new effective experimental response. The initial focus of the MAPPER capability will be to support the confirmatory analysis required for criticality safety analysis of storage facilities which require k-eff biases to be known for safe operation. This paper reports some of the initial results obtained with MAPPER as applied to a set of critical experiments for which existing similarity-based methods have been shown to provide inaccurate estimates of the biases.

Mertyurek, Ugur↗

DOE OSTI2021

Magnetic and f-electron effects in LaNiO2 and NdNiO2 nickelates with cuprate-like $$3{d}_{{x}^{2}-{y}^{2}}$$ band

Recent discovery of superconductivity in the doped infinite-layer nickelates has renewed interest in understanding the nature of high-temperature superconductivity more generally. The low-energy electronic structure of the parent compound NdNiO 2 , the role of electronic correlations in driving superconductivity, and the possible relationship between the cuprates and the nickelates are still open questions. Here, by comparing LaNiO 2 and NdNiO 2 systematically within a parameter-free, all-electron first-principles density-functional theory framework, we reveal the role of Nd 4 f electrons in shaping the ground state of pristine NdNiO 2 . Strong similarities are found between the electronic structures of LaNiO 2 and NdNiO 2 , except for the effects of the 4 f electrons. Hybridization between the Nd 4 f and Ni 3 d orbitals is shown to significantly modify the Fermi surfaces of various magnetic states. In contrast, the competition between the magnetically ordered phases depends mainly on the gaps in the Ni $3{d}_{{x}^{2}-{y}^{2}}$ band. Our estimated value of the on-site Hubbard U in the nickelates is similar to that in the cuprates, but the value of the Hund’s coupling J H is found to be sensitive to the Nd magnetic moment. In contrast with the cuprates, NdNiO 2 presents 3D magnetism with competing antiferromagnetic and (interlayer) ferromagnetic exchange, which may explain why the T c is lower in the nickelates.

36 MATERIALS SCIENCE↗