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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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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Tuning colloidal quantum dot band edge positions through solution-phase surface chemistry modification

Band edge positions of semiconductors determine their functionality in many optoelectronic applications such as photovoltaics, photoelectrochemical cells and light emitting diodes. Here we show that band edge positions of lead sulfide (PbS) colloidal semiconductor nanocrystals, specifically quantum dots (QDs), can be tuned over 2.0 eV through surface chemistry modification. We achieved this remarkable control through the development of simple, robust and scalable solution-phase ligand exchange methods, which completely replace native ligands with functionalized cinnamate ligands, allowing for well-defined, highly tunable chemical systems. By combining experiments and ab initio simulations, we establish clear relationships between QD surface chemistry and the band edge positions of ligand/QD hybrid systems. We find that in addition to ligand dipole, inter-QD ligand shell inter-digitization contributes to the band edge shifts. As a result, we expect that our established relationships and principles can help guide future optimization of functional organic/inorganic hybrid nanostructures for diverse optoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A quantitative framework reveals ecological drivers of grassland microbial community assembly in response to warming

Abstract Unraveling the drivers controlling community assembly is a central issue in ecology. Although it is generally accepted that selection, dispersal, diversification and drift are major community assembly processes, defining their relative importance is very challenging. Here, we present a framework to quantitatively infer community assembly mechanisms by phylogenetic bin-based null model analysis (iCAMP). iCAMP shows high accuracy (0.93–0.99), precision (0.80–0.94), sensitivity (0.82–0.94), and specificity (0.95–0.98) on simulated communities, which are 10–160% higher than those from the entire community-based approach. Application of iCAMP to grassland microbial communities in response to experimental warming reveals dominant roles of homogeneous selection (38%) and ‘drift’ (59%). Interestingly, warming decreases ‘drift’ over time, and enhances homogeneous selection which is primarily imposed on Bacillales. In addition, homogeneous selection has higher correlations with drought and plant productivity under warming than control. iCAMP provides an effective and robust tool to quantify microbial assembly processes, and should also be useful for plant and animal ecology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Diagnostics for hybrid reactors

The Hybrid Reactor(HR) can be considered an attractive actinide-burner or a fusion assisted transmutation for destruction of transuranic(TRU) nuclear waste. The hybrid reactor has two important subsystems: the tokamak neutron source and the blanket which includes a fuel zone where the TRU are placed and a tritium breeding zone. The diagnostic system for a HR must be as simple and robust as possible to monitor and control the plasma scenario, guarantee the protection of the machine and monitor the transmutation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Impurity-generated non-Abelions

Two classes of topological superconductors and Majorana modes in condensed matter systems are known to date: one in which disorder induced by impurities strongly suppresses topological superconducting gap and is detrimental to Majorana modes, and another where Majorana fermions are protected by a disorder-robust topological superconductor gap. Observation and control of Majorana fermions and other non-Abelions often requires a symmetry of an underlying system leading to a gap in the single-particle or quasiparticle spectra. In semiconductor structures, impurities that provide charge carriers introduce states into the gap and enable conductance and proximity-induced superconductivity via the in-gap states. Thus a third class of topological superconductivity and Majorana modes emerges, in which topological superconductivity and Majorana fermions appear exclusively when impurities generate in-gap states. We show that impurity-enabled topological superconductivity is realized in a quantum Hall ferromagnet, when a helical domain wall is coupled to an 𝑠-wave superconductor. As an example of emergence of topological superconductivity in quantum Hall ferromagnets, we consider the integer quantum Hall effect in Mn-doped CdTe quantum wells. Recent experiments on transport through the quantum Hall ferromagnet domain wall in this system indicated a vital role of impurities in the conductance, but left unresolved the question whether impurities preclude generation of Majorana fermions and other non-Abelions in such systems in general. Here, solving a general quantum-mechanical problem of impurity bound states in a system of spin-orbit coupled Landau levels, we demonstrate that impurity-induced Majorana modes emerge at boundaries between topological and conventional superconducting states generated in a domain wall due to proximity to an 𝑠 superconductor. We consider both short-range disorder and a smooth random potential. The phase diagram of the system is defined by characteristic disorder, gate voltage induced angular momentum splitting of impurity levels, and by a proximity superconducting gap. The phase diagram exhibits two ranges of gate voltage with conventional superconducting order separated by a gate voltage range with topological superconductivity. We show that electrostatic control of domain walls in an integer quantum Hall ferromagnet allows manipulation of Majorana fermions. Ferromagnetic transitions in the fractional quantum Hall regime may lead to the formation and electrostatic control of higher order non-Abelian excitations.

Edge states↗
DOE OSTI2026

Coupled Lindblad Pseudomode Theory for Simulating Open Quantum Systems

Coupled Lindblad pseudomode theory is a promising approach for simulating non-Markovian quantum dynamics on both classical and quantum platforms, with dynamics that can be realized as a quantum channel. We provide theoretical evidence that the number of coupled pseudomodes only needs to scale as polylog⁡(𝑇/𝜖) in the simulation time 𝑇 and precision 𝜖. Inspired by the realization problem in control theory, we also develop a robust numerical algorithm for constructing the coupled modes that avoid the nonconvex optimization required by existing approaches. We demonstrate the effectiveness of our method by computing population dynamics and absorption spectra for the spin-boson model. Furthermore, this Letter provides a significant theoretical and computational improvement to the coupled Lindblad framework, which impacts a broad range of applications from classical simulations of quantum impurity problems to quantum simulations on near-term quantum platforms.

Anderson impurity model↗
DOE OSTI2021

Enabling Pulse-level Programming, Compilation, and Execution in XACC

Noisy gate-model quantum processing units (QPUs) are currently available from vendors over the cloud, and digital quantum programming approaches exist to run low-depth circuits on physical hardware. These digital representations are ultimately lowered to pulse-level instructions by vendor quantum control systems to affect unitary evolution representative of the submitted digital circuit. Vendors are beginning to open this pulse-level control system to the public via specified interfaces. Robust programming methodologies, software frameworks, and backend simulation technologies for this analog model of quantum computation will prove critical to advancing pulse-level control research and development. Prototypical use cases for this include error mitigation, optimal pulse control, and physics-inspired pulse construction. Here we present an extension to the XACC quantum-classical software framework that enables pulse-level programming for superconducting, gate-model quantum computers, and a novel, general, and extensible pulse-level simulation backend for XACC that scales on classical compute clusters via MPI. Our work enables custom backend Hamiltonian definitions and gate-level compilation to available pulses with a focus on performance and scalability. We end with a demonstration of this capability, and show how to use XACC for pertinent pulse-level programming tasks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Tunable structural color of bottlebrush block copolymers through direct-write 3D printing from solution

Additive manufacturing of functional materials is limited by control of microstructure and assembly at the nanoscale. In this work, we integrate nonequilibrium self-assembly with direct-write three-dimensional (3D) printing to prepare bottlebrush block copolymer (BBCP) photonic crystals (PCs) with tunable structure color. After varying deposition conditions during printing of a single ink solution, peak reflected wavelength for BBCP PCs span a range of 403 to 626 nm (blue to red), corresponding to an estimated change in d-spacing of >70 nm (Bragg- Snell equation). Physical characterization confirms that these vivid optical effects are underpinned by tuning of lamellar domain spacing, which we attribute to modulation of polymer conformation. Using in situ optical microscopy and solvent-vapor annealing, we identify kinetic trapping of metastable microstructures during printing as the mechanism for domain size control. More generally, we present a robust processing scheme with potential for on-the-fly property tuning of a variety of functional materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Metagenomic Meta-analysis Reveals Functional Signatures of Health and Disease in the Human Gut Microbiome

While recent research indicates that human health is affected by the gut microbiome, the functional mechanisms that underlie host-microbiome interactions remain poorly resolved. Metagenomic clinical studies can address this problem by revealing specific microbial functions that stratify healthy and diseased individuals. To improve our understanding of the relationship between the gut microbiome and health, we conducted the first integrative functional analysis of nearly 2,000 publicly available fecal metagenomic samples obtained from eight clinical studies. We identified characteristics of the gut microbiome that associate generally with disease, including functional alpha-diversity, beta-diversity, and beta-dispersion. Using regression modeling, we identified specific microbial functions that robustly stratify diseased individuals from healthy controls. Many of these functions overlapped multiple diseases, suggesting a general role in host health, while others were specific to a single disease and may indicate disease-specific etiologies. Our results clarify potential microbiome-mediated mechanisms of disease and reveal features of the microbiome that may be useful for the development of microbiome-based diagnostics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Development of advanced machine learning models for analysis of plutonium surrogate optical emission spectra

This work investigates and applies machine learning paradigms seldom seen in analytical spectroscopy for quantification of gallium in cerium matrices via processing of laser-plasma spectra. Ensemble regressions, support vector machine regressions, Gaussian kernel regressions, and artificial neural network techniques are trained and tested on cerium-gallium pellet spectra. A thorough hyperparameter optimization experiment is conducted initially to determine the best design features for each model. The optimized models are evaluated for sensitivity and precision using the limit of detection (LoD) and root mean-squared error of prediction (RMSEP) metrics, respectively. Gaussian kernel regression yields the superlative predictive model with an RMSEP of 0.33% and an LoD of 0.015% for quantification of Ga in a Ce matrix. This study concludes that these machine learning methods could yield robust prediction models for rapid quality control analysis of plutonium alloys.

Rao, Ashwin P. (ORCID:0000000319312568)↗
DOE OSTI2024

Deep learning-based temporal deconvolution for photon time-of-flight distribution retrieval

The acquisition of the time of flight (ToF) of photons has found numerous applications in the biomedical field. Over the last decades, a few strategies have been proposed to deconvolve the temporal instrument response function (IRF) that distorts the experimental time-resolved data. However, these methods require burdensome computational strategies and regularization terms to mitigate noise contributions. Herein, we propose a deep learning model specifically to perform the deconvolution task in fluorescence lifetime imaging (FLI). The model is trained and validated with representative simulated FLI data with the goal of retrieving the true photon ToF distribution. Its performance and robustness are validated with well-controlled in vitro experiments using three time-resolved imaging modalities with markedly different temporal IRFs. The model aptitude is further established with in vivo preclinical investigation. Overall, these in vitro and in vivo validations demonstrate the flexibility and accuracy of deep learning model-based deconvolution in time-resolved FLI and diffuse optical imaging.

Pandey, Vikas (ORCID:0000000154771095)↗
DOE OSTI2013

X-ray Optics for BES Light Source Facilities

Each new generation of synchrotron radiation sources has delivered an increase in average brightness 2 to 3 orders of magnitude over the previous generation. The next evolution toward diffraction-limited storage rings will deliver another 3 orders of magnitude increase. For ultrafast experiments, free electron lasers (FELs) deliver 10 orders of magnitude higher peak brightness than storage rings. Our ability to utilize these ultrabright sources, however, is limited by our ability to focus, monochromate, and manipulate these beams with X-ray optics. X-ray optics technology unfortunately lags behind source technology and limits our ability to maximally utilize even today’s X-ray sources. With ever more powerful X-ray sources on the horizon, a new generation of X-ray optics must be developed that will allow us to fully utilize these beams of unprecedented brightness. The increasing brightness of X-ray sources will enable a new generation of measurements that could have revolutionary impact across a broad area of science, if optical systems necessary for transporting and analyzing X-rays can be perfected. The high coherent flux will facilitate new science utilizing techniques in imaging, dynamics, and ultrahigh-resolution spectroscopy. For example, zone-plate-based hard X-ray microscopes are presently used to look deeply into materials, but today’s resolution and contrast are restricted by limitations of the current lithography used to manufacture nanodiffractive optics. The large penetration length, combined in principle with very high spatial resolution, is an ideal probe of hierarchically ordered mesoscale materials, if zone-plate focusing systems can be improved. Resonant inelastic X-ray scattering (RIXS) probes a wide range of excitations in materials, from charge-transfer processes to the very soft excitations that cause the collective phenomena in correlated electronic systems. However, although RIXS can probe high-energy excitations, the most exciting and potentially revolutionary science involves soft excitations such as magnons and phonons; in general, these are well below the resolution that can be probed by today’s optical systems. The study of these low-energy excitations will only move forward if advances are made in high-resolution gratings for the soft X-ray energy region, and higher-resolution crystal analyzers for the hard X-ray region. In almost all the forefront areas of X-ray science today, the main limitation is our ability to focus, monochromate, and manipulate X-rays at the level required for these advanced measurements. To address these issues, the U.S. Department of Energy (DOE) Office of Basic Energy Sciences (BES) sponsored a workshop, X-ray Optics for BES Light Source Facilities, which was held March 27–29, 2013, near Washington, D.C. The workshop addressed a wide range of technical and organizational issues. Eleven working groups were formed in advance of the meeting and sought over several months to define the most pressing problems and emerging opportunities and to propose the best routes forward for a focused R&D program to solve these problems. The workshop participants identified eight principal research directions (PRDs), as follows: Development of advanced grating lithography and manufacturing for high-energy resolution techniques such as soft X-ray inelastic scattering. Development of higher-precision mirrors for brightness preservation through the use of advanced metrology in manufacturing, improvements in manufacturing techniques, and in mechanical mounting and cooling. Development of higher-accuracy optical metrology that can be used in manufacturing, verification, and testing of optomechanical systems, as well as at wavelength metrology that can be used for quantification of individual optics and alignment and testing of beamlines. Development of an integrated optical modeling and design framework that is designed and maintained specifically for X-ray optics. Development of nanolithographic techniques for improved spatial resolution and efficiency of zone plates. Development of large, perfect single crystals of materials other than silicon for use as beam splitters, seeding monochromators, and high-resolution analyzers. Development of improved thin-film deposition methods for fabrication of multilayer Laue lenses and high-spectral-resolution multilayer gratings. Development of supports, actuator technologies, algorithms, and controls to provide fully integrated and robust adaptive X-ray optic systems. Development of fabrication processes for refractive lenses in materials other than silicon. The workshop participants also addressed two important nontechnical areas: our relationship with industry and organization of optics within the light source facilities. Optimization of activities within these two areas could have an important effect on the effectiveness and efficiency of our overall endeavor. These are crosscutting managerial issues that we identified as areas that needed further in-depth study, but they need to be coordinated above the individual facilities. Finally, an issue that cuts across many of the optics improvements listed above is routine access to beamlines that ideally are fully dedicated to optics research and/or development. The success of the BES X-ray user facilities in serving a rapidly increasing user community has led to a squeezing of beam time for vital instrumentation activities. Dedicated development beamlines could be shared with other R&D activities, such as detector programs and novel instrument development. In summary, to meet the challenges of providing the highest-quality X-ray beams for users and to fully utilize the high-brightness sources of today and those that are on the horizon, it will be critical to make strategic investments in X-ray optics R&D. This report can provide guidance and direction for effective use of investments in the field of X-ray optics and potential approaches to develop a better-coordinated program of X-ray optics development within the suite of BES synchrotron radiation facilities. Due to the importance and complexity of the field, the need for tight coordination between BES light source facilities and with industry, as well as the rapid evolution of light source capabilities, the workshop participants recommend holding similar workshops at least biannually.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Functional Manipulation of Root Endophyte Populations for Feedstock Improvement- Final Report

This study provides a systemic analysis of the influence of the abiotic environment on the assembly of plant microbiomes. We show that under controlled conditions, community assembly cues are robust and predictable across multiple abiotic gradients. Plant colonization patterns are largely driven by phylogeny, and colonization phenotypes are ubiquitous across different specimens of the same phylogenetic class. Subsets of the full synthetic community were shown to induce different root morphologies, and the morphology observed with the full community is an outcome of epistasis between two functional guilds.

09 BIOMASS FUELS↗
DOE OSTI2020

Robust and resilient coordination of feeders with uncertain distributed energy resources: from real-time control to long-term planning

To enable flexible demand and ensure reliable and economical operation of distribution systems, we present a novel hierarchical scheme that actively coordinates responsive behind-the-meter grid resources, including distributed energy resources (DERs), to reliably manage each unbalanced distribution feeder and exploits the available flexibility to economically optimize the entire network. Each layer of the scheme employs advanced optimization methods at different timescales to ensure that the system operates within both grid and device limits. The hierarchy is validated in a large-scale realistic simulation based on data from the industry. Simulation results show that coordination of flexibility improves both system reliability and economics, and enables greater penetration of solar PV. Discussion is also provided on the practical viability of the required communications and controls to implement the presented scheme within a large DSO.

14 SOLAR ENERGY↗
DOE OSTI2025

Radio Frequency Algorithms

Final Technical Report for DOE SC0019287 award titled Radio Frequency Algorithms. This project supported the design, simulation, analysis, and optimization of robust algorithms to configure, optimize, and control Radio Frequency and Low-Level RF systems for several modern accelerator systems.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

PPPL Report on Reduced Modeling of Fusion Alpha Transport in ARC Burning Plasmas

We are reporting on the modeling of fusion alpha particle transport in the planned ARC fusion device being designed by the CFS (Commonwealth Fusion Systems: https://cfs.energy). The ARC tokamak is designed to operate in a burning-plasma regime characterized by a substantial population of fusion-born alpha particles. Alfvén eigenmode (AE) stability is assessed both analytically and numerically, incorporating alpha-particle drive, ion Landau, and radiative damping from thermal species and collisional damping from trapped electrons. Regions of unstable and near-threshold AE activity are mapped across ARC’s operational parameter space. Linear stability analysis with NOVA indicates multiple, often marginally unstable AEs, extending to toroidal mode numbers up to n= 30. The present report focuses on the ARC flat-top operating point prior to the sawtooth event. Alpha-particle transport on timescales exceeding the neoclassical slowing-down time is assessed using the NUBEAM module [1][2] of the TRANSP code [3], employing transport coefficients derived from the RBQ quasilinear modeling (cf. Appendix B). These global simulations identify favorable and unfavorable operating regimes with respect to alpha confinement, pressure redistribution, and overall alpha-heating efficiency. We also evaluate additional transport mechanisms—including neoclassical tearing mode (TM)–induced stochasticity, sawtooth-driven redistribution, and toroidal-field ripple using the kick model (cf. Appendix C) which makes use of the guiding-center code ORBIT, see Section 5. The kick model is integrated into TRANSP to enable self-consistent predictions of alpha-driven current formation and sustainment within the ARC scenario. Sensitivity scans are performed over the mode frequency, rational-surface alignment, island width, mode amplitude, and proximity of the limiter to the plasma. Our study provides an initial, physics-based guidance for machine design, operational planning, and equilibrium control, ensuring adequate alpha confinement and robust self-heating performance in ARC. Our simulations mostly targeted worst case scenarios, e.g. for TMs and sawteeth. Overall, we expect benign effects for the ARC scenario investigated in this work on fusion alpha confinement and losses in the presence of AEs, tearing modes and sawteeth. This report addresses three thrusts identified at the outset. The first thrust focuses on analytic estimates of the parametric dependencies of EP relaxation based on local AE stability simulations (Section 3). The second thrust involves global evaluations of AE stability using the NOVA, RBQ, and NUBEAM codes (Section 4). Finally, we investigate alpha-particle transport driven by low-frequency instabilities associated with sawteeth and tearing modes (Section 5).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Developing affordable and efficient heating devices for enhanced live cell imaging in confocal microscopy

Temperature control is crucial for live cell imaging, particularly in studies involving plant responses to high ambient temperatures and thermal stress. This study presents the design, development, and testing of two cost-effective heating devices tailored for confocal microscopy applications: an aluminum heat plate and a wireless mini-heater. The aluminum heat plate, engineered to integrate seamlessly with the standard 160 mm × 110 mm microscope stage, supports temperatures up to 36°C, suitable for studies in the range of non-stressful warm temperatures (e.g., 25-27°C forArabidopsis thaliana) and moderate heat stress (e.g., 30-36°C forA. thaliana). We also developed a wireless mini-heater that offers rapid, precise heating directly at the sample slide, with a temperature increase rate over 30 times faster than the heat plate. The wireless heater effectively maintained target temperatures up to 50°C, ideal for investigating severe heat stress and heat shock responses in plants. Both devices performed well in controlled studies, including the real-time analysis of heat shock protein accumulation and stress granule formation inA. thaliana. Our designs are effective and affordable, with total construction costs lower than $300. This accessibility makes them particularly valuable for small laboratories with limited funding. Future improvements could include enhanced heat uniformity, humidity control to mitigate evaporation, and more robust thermal management to minimize focus drift during extended imaging sessions. These modifications would further solidify the utility of our heating devices in live cell imaging, offering researchers reliable, budget-friendly tools for exploring plant thermal biology.

Plant Sciences↗
NASA NTRS1982

Nonlinear multivariable design by total synthesis

The Nominal Design Problem (NDP) is extended to nonlinear cases, and a new case study of robust feedback synthesis for gas turbine control design is presented. The discussion of NDP extends and builds on earlier Total Synthesis Problem theory and ideas. Some mathematical preliminaries are given in which a bijection from a set S onto a set T is considered, with T admitting the structure of an F-vector space. NDP is then discussed for a nonlinear plant, and nonlinear nominal design is defined and characterized. The design of local controllers for a turbojet and the scheduling of these controls into a global control are addressed.

Sain, M. K.↗