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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 OSTI2026

A Chemist’s Guide to Solid-State Qubits: Diamond Color Centers as Embedded Vacancy-Centered Molecules

Diamond point defects or color centers are at the crux of solid-state quantum technology applications, from computing to sensing. Modeling molecular qubits has advanced by leaps and bounds mainly due to the advanced quantum mechanical (QM) tools in the arsenal of quantum chemists for modeling (isolated) molecular systems, which should be easily translatable for analogous systems in the solid state. Here, we simulate a series of diamond defects: a carbon vacancy (V C ) and second row substitutions that are adjacent to a V C or D C V C , with D = B, N, and O, to evaluate their magnetic and optical properties. We applied molecular orbital principles, an embedded cluster method, and a multiconfigurational QM theory to computationally characterize the above-mentioned defects for a multitude of spin, charge, and excited states. Our computational approach delivered high-quality QM insights that compare well with experiments. Furthermore, with this framework, we confirm the spin-triplets B C V C – and O C V C 0 to be analogous to N C V C – , with calculated bright transitions that respectively correspond to UV (3.80 eV) and blue (2.65 eV) light absorption and emission lifetimes (τ) of 2.3 and 5.6 ns, which are higher in energy and more short-lived (and thus brighter) than that for N C V C – : green (2.26 eV), τ = 9.5 ns.

Martirez, John Mark P. [Princeton Plasma Physics L↗
DOE OSTI2026

Shakeup and shakeoff spectra in the electron capture decay of atomic 7 Be

The most stringent laboratory-based experimental limits on the existence of submegaelectronvolt sterile neutrinos are currently set by decay spectroscopy of radioactive 7 Be embedded into superconducting sensors. The systematic uncertainties are dominated by the modeling of the electron shakeup and shakeoff spectra that are not based on state-of-the-art atomic theory and do not include electron correlations or relativistic effects. We have used the multiconfiguration Dirac-Fock formalism to obtain correlated wave functions ab initio and compute all single and double shake processes in the electron capture decay of atomic 7 Be . The simulations can explain some but not all of the observed spectral features, likely because the wave functions are modified by the Ta sensor material that the 7 Be is embedded into. The new models also show that the 𝐿/𝐾 electron capture ratio of 7 Be in Ta has previously been slightly underestimated revising the previous value of 0.070(7) to a new value of 0.0756(20).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Laser activation of single group-IV colour centres in diamond

Abstract Spin-photon interfaces based on group-IV colour centres in diamond offer a promising platform for quantum networks. A key challenge in the field is realising precise single-defect positioning and activation, which is crucial for scalable device fabrication. Here we address this problem by demonstrating a two-step fabrication method for tin vacancy (SnV − ) centres that uses site-controlled ion implantation followed by local femtosecond laser annealing with in-situ spectral monitoring. The ion implantation is performed with sub-50 nm resolution and a dosage that is controlled from hundreds of ions down to single ions per site, limited by Poissonian statistics. Using this approach, we successfully demonstrate site-selective creation and modification of single SnV − centres. Our in-situ spectral monitoring opens a window onto materials tuning at the single defect level, and provides new insight into defect structures and dynamics during the annealing process. While demonstrated for SnV − centres, this versatile approach can be readily generalised to other implanted colour centres in diamond and wide-bandgap materials.

Science & Technology - Other Topics↗
DOE OSTI2026

Co-Location of Cellulosic Bioethanol and Alcohol-to-Jet (ATJ) Production Facilities for Targeted Scale-Up of Sustainable Aviation Fuel (SAF) Production

Achieving aerospace industry net-zero emissions by 2050 requires rapid scaling of sustainable aviation fuel (SAF) production. Leveraging existing infrastructure, proven technologies like Alcohol-to-Jet (ATJ), and low carbon intensity (CI) feedstocks (e.g., switchgrass and miscanthus) can support this transition and help achieve near-term emissions reduction targets. This study evaluates the implications of lignocellulosic ethanol biorefinery siting and integration with petroleum refineries to produce SAF across 1000 sites randomly sampled from areas suitable for perennial grasses in the U.S. rainfed region. To better understand the logistics of material transport and handoffs, we integrated models of biomass harvest, transport, ethanol, and ATJ production in a stochastic framework based on Monte Carlo simulations to characterize SAF minimum selling price (MSP) and carbon intensity (CI), considering site-specific parameters (e.g., feedstock production, transportation, taxes, incentives). The results indicate trade-offs between MSP and CI across locations, with median MSP ranging from 7.9 to 12.8 USD·gal −1 and CI from −9.7 to 39.4 gCO 2 e·MJ −1 . Despite high estimated decarbonization costs (580 USD·tonCO 2 e −1 ), our results indicate that site-specific deployment of ATJ with low-CI feedstocks can improve sustainability outcomes. The framework provides a systematic approach to assess cost and sustainability trade-offs across locations, considering the end-to-end supply chain and supporting an informed investment in SAF production.

09 BIOMASS FUELS↗
DOE OSTI2025

Chiral edge state control of thermoelectric effects

Thermoelectric responses in two-dimensional electron gases subjected to magnetic fields have the potential to provide unique information about quasiparticle statistics. In this study, we show that chiral edge states play a key role in thermoelectric Hall bar measurements by completely controlling the direction of the internal thermal gradient. To this end, we perform measurements of the magnetothermoelectric responses of cadmium arsenide quantum wells. The magnetothermoelectric responses in the quantum Hall regime agree with theoretical predictions if one considers the role of chiral edge states, which flow in opposite directions on either side of the Hall bar and establish an internal temperature gradient that is perpendicular to the externally applied thermal gradient. We show that the results are self-consistent within this picture under different measurement conditions. We discuss potential applications of the findings, such as in nanoscale control of local temperature gradients and thermoelectric effects along with the characterization of other topological systems with chiral edges states.

Science & Technology - Other Topics↗
DOE OSTI2026

The SPT-deep Cluster Catalog: Sunyaev–Zel’dovich Selected Clusters from Combined SPT-3G and SPTpol Measurements over 100 Square Degrees

We present a catalog of 500 galaxy cluster candidates in the SPT-Deep field: a 100 deg$^{2}$ field that combines data from the SPT-3G and SPTpol surveys to reach noise levels of 3.0, 2.2, and 9.0 μK-arcmin at 95, 150, and 220 GHz, respectively. Candidates are selected via the thermal Sunyaev–Zel’dovich (SZ) effect with a minimum significance of ξ = 4.0, resulting in a catalog of purity ∼89%. Optical data from the Dark Energy Survey and infrared data from the Spitzer Space Telescope are used to confirm 442 cluster candidates. The clusters span 0.12 < z ≲ 1.8 and 1.0 × 10$^{14}$M$_{⊙}$/h$_{70}$ < M$_{500c}$ < 8.7 × 10$^{14}$M$_{⊙}$/h$_{70}$. The sample’s median redshift is 0.74, and the median mass is 1.7 × 10$^{14}$M$_{⊙}$/h$_{70}$; these are the lowest median mass and highest median redshift of any SZ-selected sample to date. We assess the effect of infrared emission from cluster member galaxies on cluster selection by performing a joint fit to the infrared dust and tSZ signals by combining measurements from SPT and overlapping submillimeter data from Herschel/SPIRE. We find that at high redshift (z > 1), the tSZ signal is reduced by $17.9_{−3.2}^{+3.8}$%$(3.8_{−0.7}^{+0.9}$%$)$ at 150 GHz (95 GHz) due to dust contamination. We repeat our cluster finding method on dust-nulled SPT maps and find the resulting catalog is consistent with the nominal SPT-Deep catalog, suggesting dust contamination does not significantly impact the SPT-Deep selection function; we attribute this lack of bias to the inclusion of the SPT 220 GHz band.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Rethinking 𝛼−RuCl 3 : Parameters, models, and phase diagram

RuCl 3 was likely the first ever deliberately synthesized ruthenium compound, following the discovery of the 44 Ru element in 1844. For a long time it was known as an oxidation catalyst, with its physical properties being discrepant and confusing, until a decade ago when its allotropic form 𝛼−RuCl 3 rose to exceptional prominence. This “rediscovery” of 𝛼−RuCl 3 has not only reshaped the hunt for a material manifestation of the Kitaev spin liquid, but it has opened the floodgates of theoretical and experimental research in the many unusual phases and excitations that the anisotropic-exchange magnets as a class of compounds have to offer. Given its importance for the field of Kitaev materials, it is astonishing that the low-energy spin model that describes this compound and its possible proximity to the much-desired spin-liquid state is still a subject of significant debate ten years later. In the present study, we argue that the existing key phenomenological observations put strong natural constraints on the effective microscopic spin model of 𝛼−RuCl 3 , and specifically on its spin-orbit-induced anisotropic-exchange parameters that are responsible for the nontrivial physical properties of this material. These constraints allow one to focus on the relevant region of the multidimensional phase diagram of the 𝛼−RuCl 3 model, suggest an intuitive description of it via a different parametrization of the exchange matrix, offer a unifying view on the earlier assessments of its parameters, and bring closer together several approaches to the derivation of anisotropic-exchange models. We explore extended phase diagrams relevant to the 𝛼−RuCl 3 parameter space using quasiclassical, Luttinger-Tisza, exact diagonalization, and density-matrix renormalization-group methods, demonstrating a remarkably close quantitative accord between them on the general structure and hierarchy of the phases, with the zigzag, ferromagnetic, and incommensurate phases that are proximate to each other. As a result, one of the highlights is the detailed agreement on the nature of the incommensurate phases that realize two distinct counterrotating helical states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

SPT clusters with DES and HST weak lensing. II. Cosmological constraints from the abundance of massive halos

We present cosmological constraints from the abundance of galaxy clusters selected via the thermal Sunyaev-Zel’dovich (SZ) effect in South Pole Telescope (SPT) data with a simultaneous mass calibration using weak gravitational lensing data from the Dark Energy Survey (DES) and the Hubble Space Telescope (HST). The cluster sample is constructed from the combined SPT-SZ, SPTpol ECS, and SPTpol 500d surveys, and comprises 1,005 confirmed clusters in the redshift range 0.25–1.78 over a total sky area of 5200 deg 2 . We use DES Year 3 weak-lensing data for 688 clusters with redshifts 𝑧 < 0.95 and HST weak-lensing data for 39 clusters with 0.6 < 𝑧 < 1.7. The weak-lensing measurements enable robust mass measurements of sample clusters and allow us to empirically constrain the SZ observable-mass relation without having to make strong assumptions about, e.g., the hydrodynamical state of the clusters. For a flat Λ⁢ CDM cosmology, and marginalizing over the sum of massive neutrinos, we measure Ω m = 0.286 ± 0.032, 𝜎 8 = 0.817 ± 0.026, and the parameter combination 𝜎 8 ⁢(Ω m /0.3) 0.25 = 0.805 ± 0.016. Our measurement of 𝑆 8 ≡ 𝜎 8 ⁢$\sqrt{Ω_{m}/0.3}$ = 0.795 ± 0.029 and the constraint from Planck CMB anisotropies (2018 TT, TE, EE+lowE) differ by 1.1⁢𝜎. In combination with that Planck dataset, we place a 95% upper limit on the sum of neutrino masses ∑𝑚 𝜈 < 0.18 eV. When additionally allowing the dark energy equation of state parameter 𝑤 to vary, we obtain 𝑤 = −1.45 ± 0.31 from our cluster-based analysis. In combination with Planck data, we measure 𝑤 =−1.3⁢4$^{+0.22}_{−0.15}$, or a 2.2⁢𝜎 difference with a cosmological constant. We use the cluster abundance to measure 𝜎8 in five redshift bins between 0.25 and 1.8, and we find the results to be consistent with structure growth as predicted by the Λ⁢ CDM model fit to Planck primary CMB data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Systematic Construction of Time-Dependent Hamiltonians for Microwave-Driven Josephson Circuits

Time-dependent electromagnetic drives are fundamental for controlling complex quantum systems, including superconducting Josephson circuits. In these devices, accurate time-dependent Hamiltonian models are imperative for predicting their dynamics and designing high-fidelity quantum operations. Existing numerical methods, such as black-box quantization (BBQ) and energy-participation ratio (EPR), excel at modeling the static Hamiltonians of Josephson circuits. However, these techniques do not fully capture the behavior of driven circuits stimulated by external microwave drives, nor do they include a generalized approach to account for the inevitable noise and dissipation that enter through microwave ports. Here, we introduce numerical techniques that leverage classical microwave simulations, efficiently executable in finite-element solvers, to obtain the time-dependent Hamiltonian of microwave-driven superconducting circuits with arbitrary geometries under charge, flux, or mixed electromagnetic modulation. Importantly, our techniques do not rely on a lumped-element description of the superconducting circuit, in contrast to previous approaches to tackling this problem. We demonstrate the versatility of our approach by characterizing the driven properties of realistic circuit devices in complex electromagnetic environments, including coherent dynamics due to charge and flux modulation, as well as drive-induced relaxation and dephasing. Our techniques offer a powerful toolbox for optimizing circuit designs and advancing practical applications in superconducting quantum computing.

Lu, Yao [Yale U.; Yale U. (main); Fermilab] (ORCID↗
DOE OSTI2021

Nonlinear nanoelectrodynamics of a Weyl metal

Chiral Weyl fermions with linear energy-momentum dispersion in the bulk accompanied by Fermi-arc states on the surfaces prompt a host of enticing optical effects. While new Weyl semimetal materials keep emerging, the available optical probes are limited. In particular, isolating bulk and surface electrodynamics in Weyl conductors remains a challenge. We devised an approach to the problem based on near-field photocurrent imaging at the nanoscale and applied this technique to a prototypical Weyl semimetal TaIrTe 4 . As a first step, we visualized nano-photocurrent patterns in real space and demonstrated their connection to bulk nonlinear conductivity tensors through extensive modeling augmented with density functional theory calculations. Notably, our nanoscale probe gives access to not only the in-plane but also the out-of-plane electric fields so that it is feasible to interrogate all allowed nonlinear tensors including those that remained dormant in conventional far-field optics. Surface- and bulk-related nonlinear contributions are distinguished through their “symmetry fingerprints” in the photocurrent maps. Robust photocurrents also appear at mirror-symmetry breaking edges of TaIrTe 4 single crystals that we assign to nonlinear conductivity tensors forbidden in the bulk. Here, nano-photocurrent spectroscopy at the boundary reveals a strong resonance structure absent in the interior of the sample, providing evidence for elusive surface states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

On-chip terahertz emission from Floquet-Bloch states [Invited]

Floquet engineering uses time-periodic electromagnetic fields to modify the electronic properties of quantum materials via the creation of Floquet-Bloch states. These photon-dressed states inherit features from both the material and the driving field, enabling the exploration and control of quantum phenomena in light-matter hybrid systems. In non-centrosymmetric materials, shift currents can arise from the quantum geometric properties of electronic wavefunctions. However, shift currents from Floquet-Bloch states remain experimentally unexplored. Here, we employ an on-chip optoelectronic circuit to detect intrinsic terahertz emission from Floquet-Bloch states in T d -WTe 2 under intense optical driving. We observe strong edge-localized terahertz emission that scales linearly with the driving field, consistent with the theoretical prediction for shift currents generated by Floquet-Bloch states. The results advance our understanding of strongly driven quantum materials and provide insights for developing efficient, bias-free terahertz sources for future optoelectronic technologies.

Li, Xinyu [Max Planck Institute for the Structure ↗
DOE OSTI2025

Single‐photon emitters in PECVD‐grown silicon nitride films: from material growth to photophysical properties

Abstract Silicon nitride (SiN) is a key material for quantum photonics due to its wide transparency window, high refractive index, low optical losses, and semiconductor foundry compatibility. We study the formation of single‐photon emitters in SiN films grown by plasma‐enhanced chemical vapor deposition (PECVD), exploring their photophysical properties and dependence on growth conditions. Emitters were observed across the entire range of nitrogen‐to‐silicon precursor ratios, from silicon‐rich to nitrogen‐rich conditions, enabled by the low background fluorescence. We demonstrate single‐photon emitters in SiN films with a higher refractive index (1.8–1.9) compared to our previous reports (∼1.7). Notably, nitrogen‐rich, thinner films yield particularly bright emitters with shorter emission lifetimes, likely due to more efficient annealing. Silicon‐rich SiN films exhibit red‐shifted emission, suggesting that composition may provide a mechanism for wavelength tuning. These findings establish the feasibility of emitters formation in foundry standard PECVD tools, advancing the scalability and lab‐to‐fab transition of SiN‐based quantum photonic technologies.

Materials Science↗
NASA NTRSDate not supplied

Microgravity Game Changers: Recent Accomplishments of Microgravity Assisted Materials Experiments on the ISS

This paper discusses important new materials, devices and technology produced in low-Earth orbit (LEO) that have been developed with funding from NASA’s In Space Production Applications (InSPA) Portfolio. In coordination with the International Space Station (ISS) National Laboratory, InSPA supports innovative small businesses and other research & development organizations to develop microgravity-assisted applications that make significant impacts in a wide variety of industries on Earth. These technology development efforts are using the microgravity of orbital space to overcome gravity-induced defects on Earth to create high-value products for terrestrial markets in the areas of semiconductors, pharmaceuticals, and communications. Through 24/7/365 operation on ISS for 25 years, coupled with commercial space transportation and services to, in, and from orbit, the microgravity environment has enabled pioneering science and significant commercial applications, including novel medical advances. World-leading researchers, innovators, and space payload developers provide compelling evidence through demonstrations on the ISS that materials processing in microgravity improves outcomes for a wide range of materials and products at all levels of the organization of matter, from quantum entities such as Bose-Einstein condensates, to crystals, alloys, composites, thin films, and photonics, to stem cells, medical diagnoses, medical treatments, and medical devices for humans. As of 2026, numerous examples proved by demonstration on ISS show the potential of these technologies in various fields. In this paper, a summary of four important experiments is presented.

microgravity medical devices↗
DOE OSTI2026

Fast Growth of Ga2O3 on Highly Offcut (100)-Oriented Substrates

Beta-Ga2O3 has emerged as a leading candidate for next-generation power electronics, radio frequency (RF) switches, and extreme environment electronics due to a wide band gap (4.6 - 4.9 eV), high dopability (approximately 40 meV activation energy for an isolated silicon donor), and melt growth characteristics resulting in commercially available 4-inch substrates and commercial demonstrations of 6-inch substrates by multiple techniques. The (100) surface of Ga2O3 is highly desirable from a device and epitaxy standpoint - bulk growth of (100) material is more scalable than (010), the surface is nearly lattice-matched to p-type partner NiO, and Al2O3 incorporates at higher concentrations without phase separation. More importantly, the impact ionization coefficients along the [100] direction are low, leading to the highest possible critical fields. This is advantageous compared to the current state of the art, (001), due to reduced surface defects and increased possible breakdown voltage. However, the epitaxial growth rate on (100) surfaces is less than 10% of other faces due to weak bonding and favorable desorption, and on-axis (100) growth easily forms twin domains. Recent demonstrations have shown growth rate improvements from 0.4 nm/min to 1.5 nm/min by growing on (100) wafers that are offcut 6 degrees in the -c direction. These films show step-flow growth from (20-1) step-edges and high electron mobility due to suppressed twins. Despite these exciting results, offcuts greater than 6 degrees have not been explored due to the waste associated with grinding and polishing large offcuts. In this talk we will discuss the molecular beam epitaxy (MBE) growth and properties of Beta-Ga2O3 grown on (100) substrates offcut in the -c direction up to 13.4 degrees. These large offcuts are enabled by edge-fed film-defined growth (EFG) where the offcut is grown into the surface by pulling the crystal through the EFG die with the seed crystal rotated by the desired offcut angle. We will demonstrate that 13.4 degrees offcut substrates still exhibit a terraced (100) surface, and that a >10x increase (>5 nm/min) in growth rate is achieved. As previously reported on lower offcuts, we observe reversal of substrate twin domains around the (001) direction at the substrate-epilayer interface. We will discuss electrical properties including record-low (by MBE) unintentional doping densities of < 5E15 cm-3 and critical breakdown field in Schottky barrier diodes comparable with state-of-the-art (001) Ga2O3 without edge termination.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Time Correlations from Steady-State Expectation Values

Recovering properties of correlation functions is typically challenging. On the one hand, experimentally, it requires measurements with a temporal resolution finer than the system’s dynamics. On the other hand, analytical or numerical analysis requires solving the system evolution. Here, we use recent results of quantum metrology with continuous measurements to derive general lower bounds on the relaxation and second-order correlation times that are both easy to calculate and measure. These bounds are based solely on steady-state expectation values and their derivatives with respect to a system parameter, and can be readily extended to the autocorrelation of arbitrary observables. We validate our method on two examples of critical quantum systems: a critical driven-dissipative resonator, where the bound matches analytical results for the dynamics, and the infinite-range Ising model, where only the steady state is solvable, and thus the bound provides information beyond the reach of existing analytical approaches. Our results can be applied to the experimental characterization of ultrafast systems and to the theoretical analysis of many-body models whose dynamics are hard to compute.

Górecki, Wojciech [INFN, Pavia] (ORCID:00000001991↗
DOE OSTI2026

Ferrimagnetism of ultracold fermions in a multiband Hubbard system

Strongly correlated materials feature multiple electronic orbitals, which are crucial to accurately understanding their many-body properties. In such multiband models, quantum interference can lead to flat energy bands with large degeneracy that gives rise to itinerant magnetic phases. Here, we report on signatures of a ferrimagnetic state realized in a Lieb lattice with ultracold fermions, characterized by antialigned magnetic moments with antiferromagnetic correlations, and concomitant with a finite spin polarization. The signatures remain robust when increasing repulsive interactions from the weakly interacting to the Heisenberg regime and emerge when continuously tuning the lattice unit cell from a square to a Lieb geometry. Our flexible approach paves the way toward exploring exotic phases, such as quantum spin liquids in kagome lattices and heavy fermion behavior in Kondo models.

Lebrat, Martin [Harvard Univ., Cambridge, MA (Unit↗
DOE OSTI2026

Unveiling field-transverse spin anisotropy in the spin liquid candidate α-RuCl3 via spin Hall magnetoresistance

α-RuCl3 has emerged as a possible candidate for a quantum spin liquid (QSL) that promises exotic quasiparticles relevant for fault-tolerant quantum computation. Here, we report spin-sensitive transport measurements using a proximal spin Hall metal, platinum (Pt), to probe magnetic moments in the insulator α-RuCl3. We observe spin Hall magnetoresistance (SMR), where both the transverse and longitudinal resistivities exhibit angular oscillations between the in-plane magnetic field and the current, driven by the interplay between the spin Hall effect in Pt and local magnetic moments in α-RuCl3. These oscillations occur from 1.5 to 18 T, covering the zigzag antiferromagnetic, putative QSL, and supposedly partially field-polarized phases. The phase of the SMR oscillations suggests that the local moments, whether static or fluctuating, develop spin anisotropy with a quantization axis in-plane and largely transverse to the magnetic field across all fields from 1.5 to 18 T. Temperature dependence indicates that the spin anisotropy operates at an energy scale similar to that of the reported QSL signatures in α-RuCl3.

Idzuchi, Hiroshi [Tohoku University, Japan]↗