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Results for “state preservation”

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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Strong-coupling expansion of multi-band interacting models: Mapping onto the transverse-field J 1 - J 2 Ising model

We investigate a class of two-dimensional two-band microscopic models in which the inter-band repulsive interactions play the dominant role. We first demonstrate three different schemes of constraining the ratios between the three types of inter-band interactions – density-density, spin exchange, and pair-hopping – that render the model free of the fermionic sign-problem for any filling and, consequently, amenable to efficient Quantum Monte Carlo simulations. We then study the behavior of these sign-problem-free models in the strong-coupling regime. In the cases where spin-rotational invariance is preserved or lowered to a planar symmetry, the strong-coupling ground state is a quantum paramagnet. However, in the case where there is only a residual Ising symmetry, the strong-coupling expansion maps onto the transverse-field J 1 - J 2 Ising model, whose pseudospins are associated with local inter-band magnetic order. We show that by varying the band structure parameters within a reasonable range of values, a variety of ground states and quantum critical points can be accessed in the strong-coupling regime, some of which are not realized in the weak-coupling regime. Here, we compare these results with the case of the single-band Hubbard model, where only intra-band repulsion is present, and whose strong-coupling behavior is captured by a simple Heisenberg model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Asymptotic-preserving dynamical low-rank method for the stiff nonlinear Boltzmann equation

In kinetic theory, numerically solving the full Boltzmann equation is extremely expensive. This is because the Boltzmann collision operator involves a high-dimensional, nonlinear integral that must be evaluated at each spatial grid point and every time step. The challenge becomes even more pronounced in the fluid (strong collisionality) regime, where the collision operator exhibits strong stiffness, causing explicit time integrators to impose severe stability restrictions. In this paper, we propose addressing this problem through a dynamical low-rank (DLR) approximation. The resulting algorithm requires evaluating the Boltzmann collision operator only r 2 times, where r, the rank of the approximation, is much smaller than the number of spatial grid points. We propose a novel DLR integrator, called the XL integrator, which reduces the number of steps compared to the available alternatives (such as the projector splitting or basis update & Galerkin (BUG) integrator). For a class of problems including the Boltzmann collision operator which enjoys a separation property between physical and velocity space, we further propose a specialized version of the XL integrator, called the sXL integrator. This version requires solving only one differential equation to update the low-rank factors. Furthermore, the proposed low-rank schemes are asymptotic-preserving, meaning they can capture the asymptotic fluid limit in the case of strong collisionality. Our numerical experiments demonstrate the efficiency and accuracy of the proposed methods across a wide range of regimes, from non-stiff (kinetic) to stiff (fluid).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Melting of charge order in the low-temperature state of an electronic ferroelectric-like system

Strong electronic interactions can drive a system into a state with a symmetry breaking. Lattice frustration or competing interactions tend to prevent symmetry breaking, leading to quantum disordered phases. In spin systems frustration can produce a spin liquid state. Frustration of a charge degree of freedom also can result in various exotic states, however, experimental data on these effects is scarce. In this work we demonstrate how in a Mott insulator on a weakly anisotropic triangular lattice a charge ordered state melts on cooling down to low temperatures. Raman scattering spectroscopy finds that κ -(BEDT-TTF) 2 Hg(SCN) 2 Cl enters an insulating “dipole solid” state at T =30K, but below T =15K the order melts, while preserving the insulating energy gap. Based on these observations, we suggest a phase diagram relevant to other quantum paraelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Advanced Design for the WIQ Magnet With Steering Corrector Function

The Facility for Rare Isotopes Beams (FRIB) delivers heavy-ion primary beams at energies of up to 300 MeV/u at 10 kW of beam power to generate rare isotope beams for experiments and will eventually operate at beam power of 400 kW. The preseprator of the Advanced Rare Isotope Separator (ARIS) is equipped with six warm-iron quadrupole (WIQ) singlets and two dipoles integrated right after the production target. They have a compact structure and operate in a high radiation vacuum environment within a hot cell having remote handling capabilities for installation and maintenance. Due to asymmetry with respect to the quadrupole poles, nested sextupole excitations in WIQs induce vertical dipoles that offset the centroid trajectory; Magnet misalignments also result in trajectory offsets. Such offsets degrade separator performance but can be minimized by changing the current distribution on sextupole and octupole coils. In this work, we show how modifications to the WIQ coil design can allow superimposed dipole fields to be included to the octupole and sextupole windings, as well as addition of dipole components by splitting coil currents over groups with separator power supplies. Adjusting the group currents can cancel the sextupole-induced vertical dipole component which can be as high as 0.012 Tm. Octupole coil changes may superimpose a horizontal dipole integrated strength as high as 0.0332 Tm. Unwanted higher harmonics induced as a side effect of the new design are kept to a minimum such that separator performance is preserved as much as possible.

Accelerator magnets↗
DOE OSTI2026

CAHS: Context-Aware Homology Search

Protein homology search is foundational to bioinformatics: it supports annotation transfer, structure/function inference, and evolutionary analysis over rapidly expanding sequence repositories (e.g., UniProtKB). Profile hidden Markov models (pHMMs), as implemented in HMMER, remain the most widely trusted approach because they provide statistically calibrated E-values; however, their gap behavior is fixed once a profile is trained, despite biological evidence that insertion/deletion tolerance varies across flexible loops and intrinsically disordered regions. We present CAHS (Context-Aware Homology Search), a lightweight query-time adapter for pHMM search that incorporates learned and biologically motivated signals without changing HMMER's downstream search pipeline or its calibrated E-value reporting. Given a query sequence, CAHS computes per-residue representations from a protein language model and a disorder predictor, maps these to profile coordinates, and modulates only match-state transition rows (gap-open and gap-extension probabilities) while preserving Plan7 constraints. We comprehensively evaluate CAHS across six structurally diverse protein families and multi-domain architectures against a 570k-sequence target corpus. CAHS expands detection capability, retrieving thousands of additional remote homologs at relaxed thresholds by maintaining alignment quality through flexible regions. For multi-domain proteins, context-aware modulation resolves 94% of fragmented alignments. Crucially, CAHS preserves hit-set invariance at stringent operating points (E<10-10), demonstrating increased statistical confidence without inflating false positives. Furthermore, sharper statistical distinction between homologs and background noise during early filter stages yields up to a 3.87× acceleration in end-to-end wall-clock time on high-performance computing clusters. Overall, CAHS illustrates a practical AI-for-science design pattern: augmenting a trusted probabilistic model with query-specific learned signals to improve interpretable, reproducible inference in data-rich biology.

Bhattaram, Swethasree [Georgia Institute of Techno↗
NASA NTRS1991

NASA's Software Bank (CLIPS)

C Language Integrated Production System (CLIPS) is a NASA Johnson Space Center developed software shell for developing expert systems, is used by researchers at Ohio State University to determine solid waste disposal sites to assist in historic preservation. The program has various other applications and has even been included in a widely-used textbook.

Source record↗
NASA NTRS2006

JSC Orbital Debris Website Description

Purpose: The website provides information about the NASA Orbital Debris Program Office at JSC, which is the lead NASA center for orbital debris research. It is recognized world-wide for its leadership in addressing orbital debris issues. The NASA Orbital Debris Program Office has taken the international lead in conducting measurements of the environment and in developing the technical consensus for adopting mitigation measures to protect users of the orbital environment. Work at the center continues with developing an improved understanding of the orbital debris environment and measures that can be taken to control its growth. Major Contents: Orbital Debris research is divided into the following five broad efforts. Each area of research contains specific information as follows: 1) Modeling - NASA scientists continue to develop and upgrade orbital debris models to describe and characterize the current and future debris environment. Evolutionary and engineering models are described in detail. Downloadable items include a document in PDF format and executable software. 2) Measurements - Measurements of near-Earth orbital debris are accomplished by conducting ground-based and space-based observations of the orbital debris environment. The data from these sources provide validation of the environment models and identify the presence of new sources. Radar, optical and surface examinations are described. External links to related topics are provided. 3) Protection - Orbital debris protection involves conducting hypervelocity impact measurements to assess the risk presented by orbital debris to operating spacecraft and developing new materials and new designs to provide better protection from the environment with less weight penalty. The data from this work provides the link between the environment defined by the models and the risk presented by that environment to operating spacecraft and provides recommendations on design and operations procedures to reduce the risk as required. These data also help in the analysis and interpretation of impact features on returned spacecraft surfaces. 4) Mitigation - Controlling the growth of the orbital debris population is a high priority for NASA, the United States, and the major space-faring nations of the world to preserve near-Earth space for future generations. Mitigation measures can take the form of curtailing or preventing the creation of new debris, designing satellites to withstand impacts by small debris, and implementing operational procedures ranging from utilizing orbital regimes with less debris, adopting specific spacecraft attitudes, and even maneuvering to avoid collisions with debris. Downloadable items include several documents in PDF format and executable software.and 5) Reentry - Because of the increasing number of objects in space, NASA has adopted guidelines and assessment procedures to reduce the number of non-operational spacecraft and spent rocket upper stages orbiting the Earth. One method of postmission disposal is to allow reentry of these spacecraft, either from orbital decay (uncontrolled entry) or with a controlled entry. Orbital decay may be achieved by firing engines to lower the perigee altitude so that atmospheric drag will eventually cause the spacecraft to enter. However, the surviving debris impact footprint cannot be guaranteed to avoid inhabited landmasses. Controlled entry normally occurs by using a larger amount of propellant with a larger propulsion system to drive the spacecraft to enter the atmosphere at a steeper flight path angle. It will then enter at a more precise latitude, longitude, and footprint in a nearly uninhabited impact region, generally located in the ocean.

Johnson, Nicholas L.↗
DOE OSTI2022

Selective, adsorbate-induced spin state changes in transition metal-based metal-organic frameworks

An adsorbate-selective metal organic framework includes a transition metal; and a plurality of organic molecules coordinated to the transition metal so as to preserve open coordination sites for selectively adsorbing molecules that have low-lying π* orbitals. The transition metal has a lowest energy spin state in the presence of the selectively adsorbed molecules that are strongly bonding to the transition metal through π-donating interactions which is different than the lowest energy spin state in the absence of these adsorbed molecules. The transition metal has also a lowest energy spin state in the presence of non-selected molecules that are weakly bonding to the transition metal through σ- and/or π-accepting and/or donating interactions.

Long, Jeffrey R.↗
NASA NTRS1999

Unifying Model-Based and Reactive Programming within a Model-Based Executive

Real-time, model-based, deduction has recently emerged as a vital component in AI's tool box for developing highly autonomous reactive systems. Yet one of the current hurdles towards developing model-based reactive systems is the number of methods simultaneously employed, and their corresponding melange of programming and modeling languages. This paper offers an important step towards unification. We introduce RMPL, a rich modeling language that combines probabilistic, constraint-based modeling with reactive programming constructs, while offering a simple semantics in terms of hidden state Markov processes. We introduce probabilistic, hierarchical constraint automata (PHCA), which allow Markov processes to be expressed in a compact representation that preserves the modularity of RMPL programs. Finally, a model-based executive, called Reactive Burton is described that exploits this compact encoding to perform efficIent simulation, belief state update and control sequence generation.

Williams, Brian C.↗
DOE OSTI2021

Federal Resilience Resources for State Energy Offices

The Weatherization and Intergovernmental Programs Office, through the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy, has compiled federally funded and publicly available qualitative and quantitative resources that support energy resilience and disaster mitigation planning. This handout is accompanied by the downloadable Resilience Valuation Tools Table that offers more detailed specifications on each quantitative tool.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Polynomial range estimation as a troubled-cell indicator for high-order methods

Two troubled-cell indicators based on polynomial range estimation methods are used to flag cells that may violate positivity constraints. One method uses interval extension, and the second uses the range enclosure property of the Bernstein polynomial basis. Furthermore, both methods reduce compute time for the positivity preserver by limiting its application to a subset of cells. The Bernstein polynomial method remains effective as the problem dimensionality increases. Interval extension applied to the internal energy equation permits the use of the troubled-cell indicators for rational functions, though performance suffers compared to directly applying the indicators to polynomial functions.

42 ENGINEERING↗
DOE OSTI2021

Enabling Computation on Sensitive Data in International Safeguards with Privacy-Preserving Encryption Techniques

Privacy-preserving machine learning is a field of study that explores how to protect and preserve the privacy of sensitive data while allowing the data to be used by machine learning algorithms. This field has had substantial industry investment due to heightened concerns about privacy in the technology industry, with a focus in two broad application areas: financial services and healthcare. Numerous privacy-preserving methods have also been proposed for international safeguards, but they have been difficult to enact because the data they require is con- sidered sensitive or proprietary by the nuclear facility operator. This work examines how current privacy-preserving approaches might be used to enable the International Atomic Energy Agency (IAEA) to use that data to contribute to a safeguards conclusion about a state while giving nuclear operators confidence that their sensitive data is adequately protected. This paper begins by exploring several broad categories of privacy-preserving techniques including homomorphic encryption, secure multiparty computation, secure enclaves, and zero-knowledge proofs. Then we discuss some of the security considerations related to using these methods, potential use cases, and a conceptual system design for applying privacy-preserving methods in international safeguards.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS2017

High-order Accurate Finite-Volume Formulations for the Pressure Gradient Force in Layered Ocean Models

Discretisation of the horizontal pressure gradient force in layered ocean models is a challenging task, with non-trivial interactions between the thermodynamics of the fluid and the geometry of the layers often leading to numerical difficulties. We present two new finite-volume schemes for the pressure gradient operator designed to address these issues. In each case, the horizontal acceleration is computed as an integration of the contact pressure force that acts along the perimeter of an associated momentum control-volume. A pair of new schemes are developed by exploring different control-volume geometries. Non-linearities in the underlying equation-of-state definitions and thermodynamic profiles are treated using a high-order accurate numerical integration framework, designed to preserve hydrostatic balance in a non-linear manner. Numerical experiments show that the new methods achieve high levels of consistency, maintaining hydrostatic and thermobaric equilibrium in the presence of strongly-sloping layer geometries, non-linear equations-of-state and non-uniform vertical stratification profiles. These results suggest that the new pressure gradient formulations may be appropriate for general circulation models that employ hybrid vertical coordinates andor terrain-following representations.

pressure gradient force↗
DOE OSTI2025

Ambient Synthesis for Fe(II) Polypyridyl Complexes with an Order of Magnitude Increase in Charge-Transfer Excited-State Lifetimes over [Fe(bpy) 3 ] 2+

Replacing precious metals with abundant metals is an important research focus in photochemical energy conversion and storage to meet global energy demands. However, transition metal complexes (TMCs) based on abundant 3d metals typically possess photochemical disadvantages─such as short charge-transfer excited-state lifetimes─and molecular modifications have focused on optimizing the interplay of structure, dynamics, and energetics to overcome their limitations. One strategy to do so is the use of bespoke ligands that can extend the lifetimes of chemically useful excited states. Here, in this study, we report the synthesis and characterization of novel Fe(II) complexes featuring lengthy polypyridyl ligands that can be readily synthesized. Steady-state and transient absorption spectroscopies indicate that these complexes have desirable properties and their excited metal-to-ligand charge-transfer states live an order of magnitude longer than in the benchmark [Fe(bpy) 3 ] 2+ . This lifetime is largely preserved in the heteroleptic complexes, thereby enabling the preparation of asymmetric complexes. Additionally, we apply nonradiative transition theory to explain the long-time decay kinetics. In light of their ease of preparation and reasonable excited-state lifetimes, we suggest the use of these complexes in Fe(II) dye-sensitized solar cells, where the rate of charge injection would be competitive with increased lifetime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Quantum interference in atom-exchange reactions

Chemical reactions, in which bonds break and form, are highly dynamic quantum processes. A fundamental question is whether coherence can be preserved in chemical reactions and then harnessed to generate entangled products. Here we investigated this question by studying the 2KRb → K 2 + Rb 2 reaction at 500 nanokelvins, focusing on the nuclear spin degrees of freedom. We prepared the initial nuclear spins in KRb (potassium-rubidium) in an entangled state by lowering the magnetic field to where the spin-spin interaction dominates and characterized the preserved coherence in nuclear spin wave function after the reaction. We observed an interference pattern that is consistent with full coherence at the end of the reaction, suggesting that entanglement prepared within the reactants could be redistributed through the atom-exchange process.

Science & Technology - Other Topics↗
DOE OSTI2023

An autoinhibited state of 53BP1 revealed by small molecule antagonists and protein engineering

The recruitment of 53BP1 to chromatin, mediated by its recognition of histone H4 dimethylated at lysine 20 (H4K20me2), is important for DNA double-strand break repair. Using a series of small molecule antagonists, we demonstrate a conformational equilibrium between an open and a pre-existing lowly populated closed state of 53BP1 in which the H4K20me2 binding surface is buried at the interface between two interacting 53BP1 molecules. In cells, these antagonists inhibit the chromatin recruitment of wild type 53BP1, but do not affect 53BP1 variants unable to access the closed conformation despite preservation of the H4K20me2 binding site. Thus, this inhibition operates by shifting the conformational equilibrium toward the closed state. Our work therefore identifies an auto-associated form of 53BP1—autoinhibited for chromatin binding—that can be stabilized by small molecule ligands encapsulated between two 53BP1 protomers. Such ligands are valuable research tools to study the function of 53BP1 and have the potential to facilitate the development of new drugs for cancer therapy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Adaptive continuity-preserving simplification of street networks

Street network data is widely used to study human-based activities and urban structure. Often, these data are geared towards transportation applications, which require highly granular, directed graphs that capture the complex relationships of potential traffic patterns. While this level of network detail is critical for certain fine-grained mobility models, it represents a hindrance for studies concerned with the morphology of the street network. For the latter case, street network simplification — the process of converting a highly granular input network into its most simple morphological form — is a necessary, but highly tedious preprocessing step, especially when conducted manually. In this manuscript, we develop and present a novel adaptive algorithm for simplifying street networks that is both fully automated and able to mimic results obtained through a manual simplification routine. The algorithm — available in the neatnet Python package — outperforms current state-of-the-art procedures when comparing those methods to manually, human-simplified data, while preserving network continuity.

Python↗
DOE OSTI2026

Understanding Majorana braiding in superconductors with a fixed total number of particles

Mean-field one-dimensional topological superconductors host edge Majorana zero modes (MZMs) that encode a topologically protected ground-state degeneracy and enable robust braiding operations within this subspace. Mean-field states lack definite particle number and thus cannot represent isolated systems. Nevertheless, projecting them onto fixed particle number can yield good approximations to an isolated superconductor ground state. In earlier work [Sajith et al., Phys. Rev. B 109, 184509 (2024)] we showed that the projected Kitaev wave function of a single wire preserves some important mean-field features, such as the zero-energy spectral peaks near the wire edges. However, uniqueness of the fixed-number ground state does not allow for any nontrivial operations in the ground-state subspace. To overcome this limitation, here we consider the case of multiple wires with a conserved total charge, using the same approach. In the limit of vanishing interwire coupling, this system has a macroscopic ground-state degeneracy. We show how this degeneracy is resolved by coherent single-particle tunneling, and identify special many-body states which play the same role as the MZM parity states in the mean field. In this work, we demonstrate how braiding operations can be implemented and discuss both intrinsic and extrinsic limits on their fidelity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗