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1,160 records · Page 30

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

Radiative divertor detachment and impurity transport with nitrogen and neon seeding in KSTAR H-mode plasmas

Achieving core-edge compatible divertor detachment is a critical requirement for stable operation in future fusion devices. This study compares nitrogen and neon seeding in KSTAR H-mode plasmas with carbon walls, combining experiments and SOLPS-ITER modelling to evaluate their radiative dissipation and core-edge compatibility. Experimentally, N seeding achieved stronger divertor detachment, with larger reductions in target particle and heat fluxes, a higher divertor radiation fraction, and a lower core radiation fraction than Ne. In contrast, Ne seeding triggered a significant rise in core radiation followed by H–L back transitions, limiting the maximum total radiated power fraction to roughly half that of N. SOLPS-ITER simulations reproduced the experimental trends and revealed that the better core-edge compatibility of N arises from its higher divertor retention in addition to its higher cooling factor. The relative positions of the stagnation points of impurity poloidal velocity and ionization sources did not explain the different divertor compression. Instead, in the present modelling, the higher impurity parallel particle flux, resulting from the higher parallel impurity velocity, explains the stronger nitrogen impurity compression in the divertor region. The parallel temperature distribution with N was more favourable for achieving higher impurity parallel velocity than with Ne, because the impurity velocity is governed by modifications of the main ion flow due to friction and thermal forces, both of which strongly depend on the temperature. Ultimately, this behaviour is attributed to the strongly divertor-localized radiation of N. These results demonstrate that N is more effective than Ne in achieving radiative divertor detachment while maintaining low core contamination in KSTAR, consistent with observations in other present tokamaks.

KSTAR

Development of the Orion Life-Support Integration Facility (OLIF)

Testing the life support hardware of a vehicle that is going to take humans beyond low-Earth orbit (LEO) in conditions similar to space is crucial. The Orion Life-Support Integration Facility (OLIF) at NASA Johnson Space Center (JSC) was designed and built to test the Orion vehicle’s hardware and software as integrated systems to provide a complete Environmental Control and Life Support System (ECLSS) system-level qualification. The existing 11 Foot human rated vacuum chamber has been adapted to accommodate and integrate various qualification and flight like components of the Orion vehicle’s Air Revitalization System (ARS), Pressure Control System (PCS), Active Thermal Control System (ATCS) and the Orion Crew Survival System Suits (OCSS). The ultimate goal was to create an analog testbed that could safely support up to four test subjects in open “shirt-sleeve” or closed suit loop configurations and simulate Orion Cabin conditions. This integrated hardware/software ARS and PCS will help identify any technical issues that should be addressed prior to the Artemis-2 mission. This paper will discuss the history of Orion ECLSS hardware development testing in the 11 Foot Chamber, the challenge of integrating flight hardware and software control systems, and the capabilities that make it a unique, world class facility for NASA. It will provide an overview of past and future testing, and the lessons learned along the way.

Peter A Masi

Hamiltonian switching control of noisy bipartite qubit systems

Abstract We develop a Hamiltonian switching ansatz for bipartite control that is inspired by the quantum approximate optimization algorithm, to mitigate environmental noise on qubits. We demonstrate the control for a central spin coupled to bath spins via isotropic Heisenberg interactions, and then make physical applications to the protection of quantum gates performed on superconducting transmon qubits coupling to environmental two-level-systems (TLSs) through dipole-dipole interactions, as well as on such qubits coupled to both TLSs and a Lindblad bath. The control field is classical and acts only on the system qubits. We use reinforcement learning with policy gradient to optimize the Hamiltonian switching control protocols, using a fidelity objective for specific target quantum gates. We use this approach to demonstrate effective suppression of both coherent and dissipative noise, with numerical studies achieving target gate implementations with fidelities over 0.9999 (four nines) in the majority of our test cases and showing improvement beyond this to values of 0.999 999 999 (nine nines) upon a subsequent optimization by GRadient Ascent Pulse Engineering (GRAPE). We analyze how the control depth, total evolution time, number of environmental TLS, and choice of optimization method affect the fidelity achieved by the optimal protocols and reveal some critical behaviors of bipartite control of quantum gates.

Physics

Characterization of Flashback and Flame-Holding in a Jet-in-Crossflow Mixing Configuration With Methane–Hydrogen Fuel Blends

An approach that combines experimental and numerical analyses has been implemented to characterize the fundamentals of flashback events and flame-holding phenomena during high-hydrogen combustion in a jet-in-crossflow (JICF) configuration. Such flame dynamics are visualized experimentally using nanosecond (ns)-based hydroxyl planar laser-induced fluorescence (OH-PLIF) and chemiluminescence diagnostics techniques. The JICF burner has an optically accessible premixing tube allowing the optical diagnostics. The testing was conducted for varied premixer velocities (V) and equivalence ratio (ϕ) for 90–100% (H 2 , by mole) H 2 /CH 4 reactant mixtures at atmospheric temperature and pressure conditions. Two distinct flashback events were identified – conventional rich flashback and lean flashback, recorded while increasing ϕ and decreasing ϕ, respectively. The cause of lean flashback was attributed to lower momentum flux ratio which bends the jet sharply, closer toward the injection plane. The mean OH-PLIF images characterized the flame-holding behavior, where the flame was found to be stabilized on the leeward side only or on both windward and leeward sides as a lifted flame near the fuel port. A large eddy simulation (LES) with detailed chemistry combustion modeling approach was implemented along with an OH* submechanism, and it showed qualitative agreement with the integrated line-of-sight chemiluminescence results as well as the planar OH-PLIF measurements.

chemiluminescence diagnostic

Diffraction-quality, ultraflexible protein single crystals engineered with DNA

DNA-functionalized colloidal nanoparticles assemble through flexible, nanoscale DNA hybridization interactions that limit atomic-level structural order. Here, we report a valence-centric strategy that enables DNA-bonded, protein single crystals with unconventional mechanical properties. An octameric enzyme, glutarate L-2-hydroxylase, was site- and number-selectively conjugated with eight self-complementary single-stranded DNA, yielding octavalent molecular bonds. The resulting conjugate assembled into the designed body-centered tetragonal crystals that diffracted to 1.42- to 2.61-angstrom resolution, with contacts mediated by B-form DNA helices spanning 17 to 25 angstroms. Increasing oligonucleotide length induces anisotropic lattice expansion while preserving atomic periodicity, even with partial DNA occupancy. Mechanistic studies suggest that the dynamic motion of unhybridized DNA facilitates crystallization, analogous to fluctuating electron clouds in atomic bonding. Compared with native protein crystals, DNA-hybridized crystals are 23-fold softer. These results challenge the assumption that flexibility is incompatible with structural order and establish a programmable framework for biomolecular crystallization and nanomaterials engineering with atomic precision.

Han, Zhenyu [Department of Chemistry, Northwestern

Parametric-Based Heat Rejection Trade Study for Lunar and Martian Surface Operations

Establishing and maintaining a sustained presence on the lunar and/or Martian surfaces will require a diverse portfolio of surface elements (e.g., habitation, mobility, power generation, etc.). Many of these systems generate excess heat that must be rejected across a wide range of magnitudes, temperatures, and duty cycles and under variable environmental conditions. To identify the most promising heat rejection approaches for this diverse portfolio, a heat rejection trade study was conducted to evaluate the performance of different technology approaches across a spectrum of surface environments and heat-load requirements. The trade study consisted of three stages: (1) development of a parametric-based modeling framework, (2) creation of a database of heat rejection technologies, surface elements, and environmental conditions for the Moon and Mars, and (3) execution of a quantitative analysis of various heat rejection technologies across different operating conditions and surface elements. The modeling framework is developed in Python and Excel to prioritize small model size and hence low computational cost to enable large parametric sweeps while avoiding the reliance on proprietary software. Individual heat rejection processes are represented as simple Excel models, and a centralized Python script interfaces with the models to coordinate the parametric study. These simple sizing models were developed to take heat load requirements and environmental parameters as inputs and compute mass, power, and volume as outputs. Rather than assess each heat rejection technology separately for each surface element, a unified parametric space was developed to evaluate all technologies across all elements. This parametric space includes factors related to heat load (e.g., magnitude or temperature) and environment (e.g., surface temperature, sky temperature, solar flux). This effort generated a database containing information on over 60 heat rejection technologies and 30 surface elements. For each surface element, the expected heat rejection requirements were documented and analyzed to determine the most common needs shared across all elements. Environmental conditions at various lunar and Martian latitudes were also established for worst-case hot and worst-case cold scenarios. High-fidelity heat rejection models are currently under development. Preliminary trades between heat rejection technologies including radiators, venting technologies, convective coolers, and more have been conducted to identify promising options. This presentation will summarize the preliminary trade results and provide an overview and discussion of the expected heat loads and thermal environments for sustained surface operations on the Moon and Mars.

Heat Rejection

The critical role of intrinsic defects and many-body interactions on the stability of MnBi2Te4

Intrinsic antisite defects pose a major challenge to understanding and predicting the exotic properties of the layered topological magnetic insulator MnBi2Te4 (MBT). In this work, we study the origin of the abundance of intrinsic defects in MBT, including many-body defect–defect interactions and many-body electronic correlations. Until now, ab initio methods have struggled to explain thermodynamic stability and properties influenced by defect behavior in MBT. We model native Mn–Bi antisite defects in MBT at finite temperatures using a cluster expansion that includes defect–defect interactions. To overcome the limitations of conventional density functional theory (DFT), we introduce a hybrid approach that incorporates high-accuracy quantum Monte Carlo (QMC) calculations, introducing missing correlations. This strategy allows for accurate estimation of defect energetics and finite-temperature properties. We compute the configurational free energy, defect concentration, and configurational heat capacity, revealing a second-order order–disorder phase transition near the experimental synthesis temperature. Our study provides the first theoretical insight into the thermodynamics of intrinsic defects in MBT. The negative free energy relative to pristine MBT at synthesis temperatures indicates that Mn–Bi antisite formation is thermodynamically spontaneous. We also present a broadly applicable general framework for correcting low-level theoretical theories using highly accurate many-body corrections from QMC.

Ghaffar, Abdul [ORNL] (ORCID:0000000241190168)

Direct observation of distinct bulk and edge nonequilibrium spin accumulation in ultrathin MoTe 2

Low-symmetry two-dimensional (2D) topological materials such as MoTe 2 host efficient charge-to-spin conversion (CSC) mechanisms that can be harnessed for novel electronic and spintronic devices. However, the nature of the various CSC mechanisms and their correlation with underlying crystal symmetries remain unsettled. In this work, we use local spin-sensitive electrochemical potential measurements to directly probe the spatially dependent nonequilibrium spin accumulation in MoTe 2 flakes down to four atomic layers. We are able to clearly disentangle contributions originating from the spin Hall and Rashba-Edelstein effects and uncover an abundance of unconventional spin polarizations that develop uniquely in the sample bulk and edges with decreasing thickness. Using ab-initio calculations, we construct a unified understanding of all the observed CSC components in relation to the material dimensionality and stacking arrangement. Our findings not only illuminate previous CSC results on MoTe 2 but also have important ramifications for future devices that can exploit the local and layer-dependent spin properties of this 2D topological material.

Science & Technology - Other Topics

Analysis of Screen Channel LAD Bubble Point Tests in Liquid Methane at Elevated Temperature

This paper examines the effect of varying the liquid temperature and pressure on the bubble point pressure for screen channel Liquid Acquisition Devices in cryogenic liquid methane using gaseous helium across a wide range of elevated pressures and temperatures. Testing of a 325 x 2300 Dutch Twill screen sample was conducted in the Cryogenic Components Lab 7 facility at the NASA Glenn Research Center in Cleveland, Ohio. Test conditions ranged from 105 to 160K and 0.0965 – 1.78 MPa. Bubble point is shown to be a strong function of the liquid temperature and a weak function of the amount of subcooling at the LAD screen. The model predicts well for saturated liquid but under predicts the subcooled data.

Reaction Control System

Machine Learning for Predicting Multipactor Susceptibility in Planar RF Structures

Multipactor discharge is a persistent challenge in high-power microwave (HPM) and accelerator systems, where secondary electron avalanches can cause heating, vacuum degradation, and failure. This work presents the first supervised machine learning (ML) framework for multipactor prediction, trained on high-fidelity 3D Particle-in-Cell (PIC) simulation data in planar geometries. The model maps operational, geometric, and material-dependent secondary electron yield (SEY) parameters to the time-averaged electron growth rate, enabling rapid reconstruction of susceptibility charts. Among the models evaluated, tree-based ensemble methods such as Random Forest and Extra Trees demonstrate superior generalization to unseen materials compared to neural networks such as multilayer perceptron (MLP). Performance metrics, including Intersection over Union (IoU), Structural Similarity Index Measure (SSIM), and Pearson correlation, show close agreement with simulation benchmarks. Principal Component Analysis attributes generalization limits to material feature-space disjointedness.

43 PARTICLE ACCELERATORS

Reversible control over the distribution of chemical inhomogeneities in multiferroic BiFeO3

Abstract Despite the appeal of flawless order, semiconductor technology has demonstrated that implanting inhomogeneities into single-crystalline materials is pivotal for modern electronics. However, the influence of the local arrangement of chemical inhomogeneities on the material’s functionalities is underexplored. In this work, we control the distribution of chemical inhomogeneities in La 3+ -substituted ferroelectric BiFeO 3 thin films. By means of a stress- and composition-driven phase transition, we trigger the formation of a lattice of La 3+ -rich and La 3+ -poor layers. This ordering correlates with the emergence of an antipolar phase. An electric field restores the original ferroelectric phase and re-randomizes the distribution of the La 3+ inhomogeneities. Leveraging these insights, we tune the polar/antipolar phase coexistence to set the net polarization of La 0.15 Bi 0.85 FeO 3 to any desired value between its saturation limits. Finally, we control the net polarization response in device-compliant capacitor heterostructures to show that inhomogeneity-distribution control is a valuable tool in the design of functional oxide electronics.

Science & Technology - Other Topics

Three-dimensional nucleation and growth of deformation twins in magnesium

At two-thirds the weight of aluminum, magnesium alloys have the potential to reduce the fuel consumption of transportation vehicles. These advancements depend on our ability to optimize the desirable versus undesirable effects of deformation twins, which are three-dimensional (3D) microstructural domains that form under mechanical stresses. Previously only characterized through surface or thin-film measurements, we here present 3D in situ characterization of deformation twinning inside an embedded grain over mesoscopic fields of view using dark-field x-ray microscopy supported by crystal plasticity finite element analysis. The results revealed the role of triple junctions on twin nucleation and the sequence and irregularity of twin growth and showed that twin-grain junctions, twin-twin junctions, and twin boundaries were the sites of localized dislocation accumulation.

Lee, Sangwon [Univ. of Michigan, Ann Arbor, MI (Un

Impact of anion-exchange membrane degradation on long-term CO 2 electrolysis to ethylene

Electrochemical CO 2 reduction (eCO2R) to ethylene offers a unique opportunity to diversify domestic supply chains for chemical manufacturing. Large-scale deployment of eCO2R to ethylene reactors is currently limited by low energy efficiencies and poor durability. Herein, we demonstrate >100 h of continuous electrolysis at an industrially relevant current density of 200 mA cm −2 in a 25 cm 2 geometric area zero-gap reactor with a full-cell voltage <3.1 V and ethylene Faradaic efficiency >30%. Incorporating expanded polytetrafluoroethylene (PTFE)-supported electrodes into zero-gap reactors allows for durable electrode catalysts that are resistant to flooding, and this enables wider ranges of operating parameters not typically accessible in CO 2 electrolysis. Finally, we identify membrane degradation, evidenced by a loss of membrane ion-exchange capacity, as the leading cause of performance loss over 144 h of electrolysis.

Energy - Conversion

Machine Learning for Predicting Team Functioning in HERA Missions

Team functioning is integral to success in future long term space exploration missions. Proactively detecting declines in team functioning can mitigate conflict and ensure mission success. This project developed a speech-based artificial intelligence (AI) system that unobtrusively predicts degradation in team functioning, including performance and cohesion, in the Human Exploration Research Analog (HERA) Campaigns 4 and 5. The AI system conducted automated analysis of the prosodic (tone of voice) and linguistic (language content) components of speech, modeling interpersonal dynamics at both the turn-taking and day-wide levels. We investigated team functioning via observing structured interactions (i.e., multi-mission space exploration vehicle-extra vehicular activity [MMSEV-EVA], team interaction battery [TIB]) and unstructured interactions before the MMSEV-EVA task. We developed machine learning models to predict team functioning (objective task accuracy, self reported team efficacy and self reported team cohesion) by analyzing OpenSmile acoustic features, linguistic descriptors extracted via the linguistic inquiry and word count (LIWC) dictionary, and semantic embeddings. In the TIB, static models using logistic regression and random forests were not able to predict task accuracy, but predicted team efficacy and cohesion during both the decision making and relational tasks to a moderate level (60-70%). Majority voting on the individual turns to predict day long team efficacy further increased accuracies (70-80%). Finally, long short-term memory (LSTM) models showed the best performance across all variables (80-91%), including task performance. In the MMSEV-EVA, static models achieved an accuracy of 60% with majority voting, which increased to 80% through the incorporation of mission day as a variable, accounting for the learning effect. A key finding across both tasks was the "team-dependent" nature of these interactions; models achieved much higher accuracy when trained on prior days of the same team's data rather than attempting to generalize across entirely different teams, with even 1-2 days of prior data per team achieving 5-15% improvement over team-independent models. In addition, the incorporation of pre-task data from the same team also improves model performance, e.g., incorporating data from the decision-making task of the TIB, which preceded the relational task, improved the prediction of team efficacy and cohesion during the latter. We compared model performance when trained on machine-generated data compared to data that had been further corrected by human annotators. Overall, models trained on human-corrected data exhibited a modest improvement in performance, particularly when acoustic features were used. We found no significant correlation between word error rate (WER) and model accuracy (r(55) = -0.08, p = 0.51), but model’s accuracy was significantly higher for medium/high quality transcription (0.74 (SD = 0.48)) compared to the low-quality group (0.64 (SD = 0.36)) (t(63)=2.82, p = 0.006). Based on these, several design recommendation emerge, that could inform Standards at NASA. Models predicting team functioning should incorporate at least one to two days of historical interaction data, include brief pre-task discussions, and explicitly model temporal learning effects, especially for longer operational tasks. Minimum quality standards for automated speech-processing pipelines are needed, given the performance gains observed with manually corrected acoustic data. Finally, systems should leverage both acoustic features and language embeddings in complementary ways, with modality choices and fusion strategies tailored to mission context, task demands, and data quality requirements.

Shrivatsa Mishra

Tunable Metasurface External-Cavity Quantum Cascade Lasers up to 5.74 THz

Vertical-external-cavity surface-emitting lasers based on amplifying quantum-cascade metasurfaces are demonstrated in the 5–6 THz range for the first time. Enhanced parasitic coupling to lossy surface modes requires updated design guidelines, while elevated losses and lower available material gain limit the scaling of the metasurface period from previous designs. A series of metasurface devices with varying periods employing both uniform and focusing metasurfaces is fabricated and characterized. Reducing the metasurface period below 70% of the free-space wavelength enables devices with superior performance, achieving pulsed operation up to 5.74 THz with peak output powers of 1.3 mW, maximum operating temperatures up to 83 K, and continuous-wave operation up to 54 K with 23 μW of output power. In the best case, single-mode tuning from 5.23–5.73 THz, which corresponds to a 9.1% fractional tuning, is realized with near-Gaussian far-field profiles maintained across the entire range. Finally, these results establish quantum cascade vertical-external-cavity surface-emitting lasers as promising candidates for high-frequency local oscillator applications in heterodyne spectroscopy.

gallium arsenide

Reversible Ferroelectric Polarization Modulation of Chiral Molecular Ferroelectrics by Circularly Polarized Light

Abstract The optical modulation of ferroelectric polarization constitutes a transformative, non‐contact strategy for the precise manipulation of ferroelectric properties, heralding advancements in optically stimulated ferroelectric devices. Despite its potential, progress in this domain is constrained by material limitations and the intricate nature of the underlying mechanisms. Recent studies have achieved efficient regulation of ferroelectric polarization and thermal conductivity in chiral ferroelectric thin films through the application of left‐ and right‐handed circularly polarized light (LCP and RCP). Differential absorption of circularly polarized light (CPL) induces nonequilibrium carrier dynamics, generating distinctive interfacial electrostatic fields that enable precise control of ultrathin ferroelectric films. For (R)‐BINOL−DIPASi and (S)‐BINOL−DIPASi (C 26 H 26 O 2 Si), polarization changes surpass 23%, exhibiting opposite response under LCP and RCP excitation. In R chiral films, remnant polarization decreases from 1.05 µC cm − 2 under LCP to 0.85 µC cm − 2 under RCP, whereas in S chiral films, polarization increases from 0.85 µC cm − 2 under LCP to 0.98 µC cm − 2 under RCP. This reversible modulation facilitates reliable switching between ON and OFF states, presenting the potential of chiral ferroelectric materials for flexible, high‐speed integrated photonic sensor technologies.

Chemistry

Superconducting phase diagram of multilayer square-planar nickelates

The discovery of superconductivity in square-planar nickelates has offered a rich materials platform to explore the origins of high-temperature superconductivity. However, experimental investigations have largely been limited to the infinite-layer R NiO 2 ( R , rare earth) nickelates. For this work we constructed a phase diagram of multilayer square-planar Nd n+1 Ni n O 2n+2 compounds and found signatures of superconductivity for dimensionality n = 4 to 8. Upon decreasing n , the superconducting anisotropy evolves owing to 4ƒ electron effects, and electronic structure characteristics approach cuprate-like behavior. Magnetic fluctuations persist from within the superconducting regime and into the overdoped, nonsuperconducting regime. The superconducting regime overlaps with that of chemically doped infinite-layer nickelates, demonstrating underlying commonalities as well as differences across varying structural realizations of square-planar nickelates. Our work establishes this layered template for creating new nickel-based superconductors.

36 MATERIALS SCIENCE