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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Interface Nucleus Templating of Modular Intermetallic Morphologies: Chemical Pressure Complementarity, Columnar Domains, and Complex Disorder in Y 13 Ag 42.7 Zn 29.7

One element of the diversity of intermetallic phases is the formation of complex structures from the assembly of fragments of simpler structures. Recently, we devised the Interface Nuclear Approach as a model for understanding such modular arrangements, in which the intergrowth of different structures is driven by chemical pressure (CP) relief at shared motifs at the domain interfaces, referred to as interface nuclei. In this Article, we present the synthesis, crystal structure, and CP analysis of a new compound that expands on this theme, Y 13 Ag 42.7 Zn 29.7 . Its hexagonal structure contains interpenetrating domains based on the CaPd 5+x and EuMg 5 types. The CaPd 5+x -based regions are reminiscent of the lamellar intergrowth structures previously observed in the Y−Ag−Zn system. In Y 13 Ag 42.7 Zn 29.7 , however, the domains have a different morphology, forming columns that adopt a hexagonal rod-packing. The geometrical features of the remaining spaces are assigned, using the program GrowDomain, to the cores of trigonal units of the EuMg 5 type, while layers of disordered atoms occur at heights along z where the parent structures are mismatched. At the CaPd 5+x -type/EuMg 5 -type interfaces, simple interface nucleus motifs with strong CP-complementarity can be identified, while their distribution within the parent structures supports the notion of templated architectures in modular intermetallics.

Chemical structure↗
DOE OSTI2025

Variational quantum and neural quantum states algorithms for the linear complementarity problem

Variational quantum algorithms (VQAs) are promising hybrid quantum-classical methods designed to leverage the computational advantages of quantum computing while mitigating the limitations of current noisy intermediate-scale quantum (NISQ) hardware. Although VQAs have been demonstrated as proofs of concept, their practical utility in solving real-world problems—and whether quantum-inspired classical algorithms can match their performance—remains an open question. We present a novel application of the variational quantum linear solver (VQLS) and its classical neural quantum states-based counterpart, the variational neural linear solver (VNLS), as key components within a minimum map Newton solver for a complementarity-based rigid-body contact model. We demonstrate using the VNLS that our solver accurately simulates the dynamics of rigid spherical bodies during collision events. These results suggest that quantum and quantum-inspired linear algebra algorithms can serve as viable alternatives to standard linear algebra solvers for modelling certain physical systems.

neural quantum states↗
DOE OSTI2024

Complementarity for a dynamical black hole

Black hole complementarity posits that the interior of a black hole is not independent from its Hawking radiation. This leads to an apparent violation of causality: the interior can be acausally affected by operators acting solely on the radiation. We argue that this perspective is misleading and that the black hole interior must be viewed as existing in the causal past of the Hawking radiation, despite the fact that they are spacelike separated in the semiclassical description. Consequently, no operation on the Hawking radiation—no matter how complex—can affect the experience of an infalling observer. The black hole interior and the radiation only appear spacelike separated in the semiclassical description because an infalling observer’s ability to access complex information is limited; the chaotic dynamics on the horizon, as viewed from the exterior, then converts any effect caused by such an observer to information in the Hawking radiation which cannot be accessed at the semiclassical level. We arrive at the picture described above by considering a unitary exterior description in which the flow of information is strictly causal, which we extend to apply throughout the entire history of black hole evolution, including its formation. This description uses the stretched event horizon as an inner edge of spacetime, on which the information inside is holographically encoded. We argue that the global spacetime picture arises from coarse graining over black hole microstates, and discuss its relationship with the exterior description.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Black hole complementarity and ER/EPR

In this paper, we demonstrate that wormholes must be entangled regardless of asymptotic boundary conditions. By assuming black hole complementarity, we argue that traversable wormholes instantiate entanglement-assisted quantum channels and that this entanglement must be present between the stretched horizons as an initial condition prior to traversability. In conclusion, this result demonstrates the forward direction of the ER/EPR conjectures.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Snowmass 2021 cross frontier report: Dark matter complementarity

The fundamental nature of Dark Matter is a central theme of the Snowmass 2021 process, extending across all frontiers. In the last decade, advances in detector technology, analysis techniques and theoretical modeling have enabled a new generation of experiments and searches while broadening the types of candidates we can pursue. Over the next decade, there is great potential for discoveries that would transform our understanding of dark matter. In the following, we outline a road map for discovery developed in collaboration among the frontiers. A strong portfolio of experiments that delves deep, searches wide, and harnesses the complementarity between techniques is key to tackling this complicated problem, requiring expertise, results, and planning from all Frontiers of the Snowmass 2021 process.

Boveia, Antonio [The Ohio State Univ., Columbus, O↗
DOE OSTI2021

A Scalable Mixed-Integer Decomposition Method for Security-Constrained Optimal Power Flow with Complementarity Constraints

This project aimed to develop a scalable algorithm for security-constrained optimal power flow (SCOPF) under contingency scenarios. In particular, the SCOPF problem targeted in the GO Competition is challenging because of the nonconvexity, its nonsmoothness, and the problem size, which increases with the number of contingency events. Complementarity constraints imposed in post-contingency variables are particularly challenging because they lead to a violation of constraint qualifications at any feasible point.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Dark Matter Complementarity (Snowmass 2021 Cross Frontier Report: Extended Version)

The fundamental nature of Dark Matter is a central theme of the Snowmass 2021 process, extending across all frontiers. In the last decade, advances in detector technology, analysis techniques and theoretical modeling have enabled a new generation of experiments and searches while broadening the types of candidates we can pursue. Over the next decade, there is great potential for discoveries that would transform our understanding of dark matter. In the following, we outline a road map for discovery developed in collaboration among the frontiers. A strong portfolio of experiments that delves deep, searches wide, and harnesses the complementarity between techniques is key to tackling this complicated problem, requiring expertise, results, and planning from all Frontiers of the Snowmass 2021 process.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Neutrino Non-Standard Interactions: Complementarity between LHC and Oscillation Experiments

We investigate the complementarity between LHC searches and neutrino experiments in probing neutrino non-standard interactions. Our study spans the theoretical frameworks of effective field theory, simplified model and an illustrative UV completion, highlighting the synergies and distinctive features in all cases. We show that besides constraining the allowed NSI parameter space, the LHC data can break important degeneracies present in oscillation experiments such as DUNE, while the latter play an important role in probing light and weakly coupled physics undetectable at the LHC. This talk is based on results presented in hep-ph 2003.03383 [1].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Complementarity of Renewable Energy-Based Hybrid Systems

Increased attention has focused on scenarios of rapid and deep decarbonization of the U.S. electricity supply, with least-cost solutions typically involving significant expansion of renewable energy, energy storage, and transmission assets. Strategies that enable the integration of renewable energy projects while minimizing transmission expansion could be especially valuable in the future. It is within this context that the concept of hybrid power plants (or hybrid energy systems) has gained prominence. One specific example is the FlexPower concept, which seeks to demonstrate how coupling variable renewable energy (VRE) and energy storage technologies can result in renewable-based hybrid power plants that provide full dispatchability and a full range of reliability and resiliency services, similar to or better than fuel-based power plants.

13 HYDRO ENERGY↗
DOE OSTI2025

Phenomenology of electroweak portal dark showers: high energy direct probes and low energy complementarity

We investigate the phenomenology of a dark QCD sector interacting with the Standard Model (SM) via the electroweak (EW) portals. The portal interactions allow SM bosons, such as Z and h, or additional bosons that mix with them, to decay into dark quarks, producing dark showers. The light dark mesons are expected to be long-lived particles (LLPs), as their decays back to the SM states through the EW-portal interactions typically have macroscopic decay lengths. We focus on dark shower events initiated by various bosons at the Large Hadron Collider (LHC). The most prominent signal is the displaced decay of GeV-scale dark pions as LLPs. Current limits on dark shower signals at LHC detectors are recast from public data to provide simplified limits insensitive to UV physics details. Future limits in the high-luminosity phase and proposed auxiliary detectors are also projected. Additionally, we study the flavor-changing neutral current (FCNC) B decays into dark pions, obtaining both current and projected constraints at the LHC and other facilities. These constraints can be combined for specific models, which are illustrated in two EW-portal benchmarks: one with the heavy doublet fermion mediation and another with the Z′ mediator including a mass mixing. The collider reach shows significant potential to probe the parameter space unconstrained by EW precision tests, highlighting the necessity of dedicated LLP search strategies and facilities.

Dark Matter at Colliders↗
DOE OSTI2023

Complementarity and the unitarity of the black hole S -matrix

Recently, Akers et al. proposed a non-isometric holographic map from the interior of a black hole to its exterior. Within this model, we study properties of the black hole S-matrix, which are in principle accessible to observers who stay outside the black hole. Specifically, we investigate a scenario in which an infalling agent interacts with radiation both outside and inside the black hole. Because the holographic map involves postselection, the unitarity of the S-matrix is not guaranteed in this scenario, but we find that unitarity is satisfied to very high precision if suitable conditions are met. If the internal black hole dynamics is described by a pseudorandom unitary transformation, and if the operations performed by the infaller have computational complexity scaling polynomially with the black hole entropy, then the S-matrix is unitary up to corrections that are superpolynomially small in the black hole entropy. Furthermore, while in principle quantum computation assisted by postselection can be very powerful, we find under similar assumptions that the S-matrix of an evaporating black hole has polynomial computational complexity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Quantitative Representativeness and Constituency of the Long-Term Agroecosystem Research Network and Analysis of Complementarity with Existing Ecological Networks

Abstract Studies conducted at sites across ecological research networks usually strive to scale their results to larger areas, trying to reach conclusions that are valid throughout larger enclosing regions. Network representativeness and constituency can show how well conditions at sampling locations represent conditions also found elsewhere and can be used to help scale-up results over larger regions. Multivariate statistical methods have been used to design networks and select sites that optimize regional representation, thereby maximizing the value of datasets and research. However, in networks created from already established sites, an immediate challenge is to understand how well existing sites represent the range of environments in the whole area of interest. We performed an analysis to show how well sites in the USDA Long-Term Agroecosystem Research (LTAR) Network represent all agricultural working lands within the conterminous United States (CONUS). Our analysis of 18 LTAR sites, based on 15 climatic and edaphic characteristics, produced maps of representativeness and constituency. Representativeness of the LTAR sites was quantified through an exhaustive pairwise Euclidean distance calculation in multivariate space, between the locations of experiments within each LTAR site and every 1 km cell across the CONUS. Network representativeness is from the perspective of all CONUS locations, but we also considered the perspective from each LTAR site. For every LTAR site, we identified the region that is best represented by that particular site—its constituency—as the set of 1 km grid locations best represented by the environmental drivers at that particular LTAR site. Representativeness shows how well the combination of characteristics at each CONUS location was represented by the LTAR sites’ environments, while constituency shows which LTAR site was the closest match for each location. LTAR representativeness was good across most of the CONUS. Representativeness for croplands was higher than for grazinglands, probably because croplands have more specific environmental criteria. Constituencies resemble ecoregions but have their environmental conditions “centered” on those at particular existing LTAR sites. Constituency of LTAR sites can be used to prioritize the locations of experimental research at or even within particular sites, or to identify the extents that can likely be included when generalizing knowledge across larger regions of the CONUS. Sites with a large constituency have generalist environments, while those with smaller constituency areas have more specialized environmental combinations. These “specialist” sites are the best representatives for smaller, more unusual areas. The potential of sharing complementary sites from the Long-Term Ecological Research (LTER) Network and the National Ecological Observatory Network (NEON) to boost representativeness was also explored. LTAR network representativeness would benefit from borrowing several NEON sites and the Sevilleta LTER site. Later network additions must include such specialist sites that are targeted to represent unique missing environments. While this analysis exhaustively considered principal environmental characteristics related to production on working lands, we did not consider the focal agronomic systems under study, or their socio-economic context.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

The RIT1 C-terminus associates with lipid bilayers via charge complementarity

RIT1 is a member of the Ras superfamily of small GTPases involved in regulation of cellular signaling. Mutations to RIT1 are involved in cancer and developmental disorders. Like many Ras subfamily members, RIT1 is localized to the plasma membrane. However, RIT1 lacks the C-terminal prenylation that helps many other subfamily members adhere to cellular membranes. For this study, we used molecular dynamics simulations to examine the mechanisms by which the C-terminal peptide (CTP) of RIT1 associates with lipid bilayers. We show that the CTP is unstructured and that its membrane interactions depend on lipid composition. While a 12-residue region of the CTP binds strongly to anionic bilayers containing phosphatidylserine lipids, the CTP termini fray from the membrane allowing for accommodation of the RIT1 globular domain at the membrane-water interface.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature

Room-temperature macromolecular crystallography allows protein structures to be determined under close-to-physiological conditions, permits dynamic freedom in protein motions and enables time-resolved studies. In the case of metalloenzymes that are highly sensitive to radiation damage, such room-temperature experiments can present challenges, including increased rates of X-ray reduction of metal centres and site-specific radiation-damage artefacts, as well as in devising appropriate sample-delivery and data-collection methods. It can also be problematic to compare structures measured using different crystal sizes and light sources. In this study, structures of a multifunctional globin, dehaloperoxidase B (DHP-B), obtained using several methods of room-temperature crystallographic structure determination are described and compared. Here, data were measured from large single crystals and multiple microcrystals using neutrons, X-ray free-electron laser pulses, monochromatic synchrotron radiation and polychromatic (Laue) radiation light sources. These approaches span a range of 18 orders of magnitude in measurement time per diffraction pattern and four orders of magnitude in crystal volume. The first room-temperature neutron structures of DHP-B are also presented, allowing the explicit identification of the hydrogen positions. The neutron data proved to be complementary to the serial femtosecond crystallography data, with both methods providing structures free of the effects of X-ray radiation damage when compared with standard cryo-crystallography. Comparison of these room-temperature methods demonstrated the large differences in sample requirements, data-collection time and the potential for radiation damage between them. With regard to the structure and function of DHP-B, despite the results being partly limited by differences in the underlying structures, new information was gained on the protonation states of active-site residues which may guide future studies of DHP-B.

36 MATERIALS SCIENCE↗