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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A class of monolayer metal halogenides MX{sub 2}: Electronic structures and band alignments

With systematic first principles calculations, a class of monolayer metal halogenides MX{sub 2} (M = Mg, Ca, Zn, Cd, Ge, Pb; M = Cl, Br, I) has been proposed. Our study indicates that these monolayer materials are semiconductors with the band gaps ranging from 2.03 eV of ZnI{sub 2} to 6.08 eV of MgCl{sub 2}. Overall, the band gap increases with the increase of the electronegativity of the X atom or the atomic number of the metal M. Meanwhile, the band gaps of monolayer MgX{sub 2} (X = Cl, Br) are direct while those of other monolayers are indirect. Based on the band edge curvatures, the derived electron (m{sub e}) and hole (m{sub h}) effective masses of MX{sub 2} monolayers are close to their corresponding bulk values except that the m{sub e} of CdI{sub 2} is three times larger and the m{sub h} for PbI{sub 2} is twice larger. Finally, the band alignments of all the studied MX{sub 2} monolayers are provided using the vacuum level as energy reference. These theoretical results may not only introduce the monolayer metal halogenides family MX{sub 2} into the emerging two-dimensional materials, but also provide insights into the applications of MX{sub 2} in future electronic, visible and ultraviolet optoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Manganese-centered tubular boron cluster – MnB{sub 16}{sup −}: A new class of transition-metal molecules

We report the observation of a manganese-centered tubular boron cluster (MnB{sub 16}{sup −}), which is characterized by photoelectron spectroscopy and ab initio calculations. The relatively simple pattern of the photoelectron spectrum indicates the cluster to be highly symmetric. Ab initio calculations show that MnB{sub 16}{sup −} has a Mn-centered tubular structure with C{sub 4v} symmetry due to first-order Jahn-Teller effect, while neutral MnB{sub 16} reduces to C{sub 2v} symmetry due to second-order Jahn-Teller effect. In MnB{sub 16}{sup −}, two unpaired electrons are observed, one on the Mn 3d{sub z{sup 2}} orbital and another on the B{sub 16} tube, making it an unusual biradical. Strong covalent bonding is found between the Mn 3d orbitals and the B{sub 16} tube, which helps to stabilize the tubular structure. The current result suggests that there may exist a whole class of metal-stabilized tubular boron clusters. These metal-doped boron clusters provide a new bonding modality for transition metals, as well as a new avenue to design boron-based nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Response analysis of a class of quasi-linear systems with fractional derivative excited by Poisson white noise

The Poisson white noise, as a typical non-Gaussian excitation, has attracted much attention recently. However, little work was referred to the study of stochastic systems with fractional derivative under Poisson white noise excitation. This paper investigates the stationary response of a class of quasi-linear systems with fractional derivative excited by Poisson white noise. The equivalent stochastic system of the original stochastic system is obtained. Then, approximate stationary solutions are obtained with the help of the perturbation method. Finally, two typical examples are discussed in detail to demonstrate the effectiveness of the proposed method. The analysis also shows that the fractional order and the fractional coefficient significantly affect the responses of the stochastic systems with fractional derivative.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Adaptive neural network backstepping control for a class of uncertain fractional-order chaotic systems with unknown backlash-like hysteresis

In this paper, we consider the control problem of a class of uncertain fractional-order chaotic systems preceded by unknown backlash-like hysteresis nonlinearities based on backstepping control algorithm. We model the hysteresis by using a differential equation. Based on the fractional Lyapunov stability criterion and the backstepping algorithm procedures, an adaptive neural network controller is driven. No knowledge of the upper bound of the disturbance and system uncertainty is required in our controller, and the asymptotical convergence of the tracking error can be guaranteed. Finally, we give two simulation examples to confirm our theoretical results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Toward machine-learning-assisted PW-class high-repetition-rate experiments with solid targets

We present progress in utilizing a machine learning (ML) assisted optimization framework to study the trends in a parameter space defined by spectrally shaped, high-intensity, petawatt-class (8 J, 45 fs) laser pulses interacting with solid targets and give the first simulation-based overview of predicted trends. A neural network (NN) incorporating uncertainty quantification is trained to predict the number of hot electrons generated by the laser–target interaction as a function of pulse shaping parameters. The predictions of this NN serve as the basis function for a Bayesian optimization framework to navigate this space. For post-experimental evaluation, we compare two separate neural network (NN) models. One is based solely on data from experiments, and the other is trained only on ensemble particle-in-cell simulations. Reviewing the predicted and observed trends across the experiment-capable laser parameter search space, we find that both ML models predict a maximal increase in hot electron generation at a level of approximately 12%–18%; however, no statistically significant enhancement was observed in experiments. On direct comparison of the NN models, the average discrepancy is 8.5%, with a maximum of 30%. Since shot-to-shot fluctuations in experiments affect the observations, we evaluate the behavior of our optimization framework by performing virtual experiments that vary the number of repeated observations and the noise levels. Here, we discuss the implications of such a framework for future autonomous exploration platforms in high-repetition-rate experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Compact in-vacuum gamma-ray spectrometer for high-repetition rate PW-class laser–matter interaction

With the advent of high repetition rate laser facilities, novel diagnostic tools compatible with these advanced specifications are required. This paper presents the design of an active gamma-ray spectrometer intended for these high repetition rate experiments, with particular emphasis on functionality within a PW level laser-plasma interaction chamber’s extreme conditions. The spectrometer uses stacked scintillators to accommodate a broad range of gamma-ray energies, demonstrating its adaptability for various experimental setups. In addition, it has been engineered to maintain compactness, electromagnetic pulse resistance, and ISO-5 cleanliness requirements while ensuring high sensitivity. The spectrometer has been tested in real conditions inside the PW-class level interaction chamber at the BELLA center, LBNL. The paper further details the calibration process, which utilizes a 60 Co radioactive source, and describes the unfolding technique implemented through a stochastic minimization method.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Breakdown characteristics analysis of kV-class vertical GaN PIN rectifiers by wafer-level sub-bandgap photoluminescence mapping

This work reports analysis of the reverse-bias breakdown characteristics of homojunction gallium nitride (GaN) p–i–n (PIN) rectifiers fabricated on bulk GaN substrates. Sub-bandgap photoluminescence mapping at room temperature as a contactless, non-destructive wafer inspection method was performed to analyze the impact of material properties on grown GaN PIN diodes and to study the correlation between defect types and breakdown characteristics of vertical GaN PIN rectifiers. Under the sub-bandgap excitation, yellow luminescence is dominant. The premature breakdown characteristics of the fabricated kV-class vertical GaN PIN rectifiers with nitrogen-implanted floating guard rings are found to be associated with material defects and deep level complexes. Photoluminescence mapping has demonstrated its effectiveness in quantitative analysis of dislocations and other types of defects.

42 ENGINEERING↗
DOE OSTI2025

Longitudinal tapering in gas jets for increased efficiency of 10-GeV class laser plasma accelerators

Modern laser plasma accelerators often require plasma waveguides tens of centimeters long to propagate a high-intensity drive laser pulse. Tapering the longitudinal gas density profile in 10 cm scale gas jets could allow for single stage laser plasma acceleration well beyond 10 GeV with current petawatt-class laser systems. Via simulation and interferometry measurements, we show density control by longitudinally adjusting the throat width and jet angle. Density profiles appropriate for tapering were calculated analytically and via particle-in-cell simulations and were matched experimentally. Further, these simulations show that tapering can increase electron beam energy using 19 J laser energy from ∼9 GeV to > 12 GeV in a 30 cm plasma and the accelerated charge by an order of magnitude.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Neutron generation dynamics inside a MA-class dense plasma focus Z-pinch

Dense plasma focii (DPFs) are appealing as energy efficient sources of short pulses of ions, neutrons, and x rays. The output of these sources is expected to scale with input current (I4), but has been shown to drop at the MA level [S. K. H. Auluck, “On the failure of neutron yield scaling in the dense plasma focus,” Phys. Plasmas 30, 080701 (2023)]. New results on the MegaJOuLe Neutron Imaging Radiography DPF showed neutron yield production in agreement with the input current scaling beyond the previously observed drop. This work provides insight into the pinch formation on a DPF and reports on the two different mechanisms leading to neutron generation inside a DPF using a combination of kinetic simulations and experimental data. A combination of particle-in-cell (PIC) and 1D shock theory results are used to describe the pinch formation and disassembly and the corresponding thermonuclear and beam-target mechanisms. The temporal evolution of the pinch column predicted by the PIC simulations shows qualitative agreement with the experimental data from plasma photon emission as well as temporal neutron pulse shapes. In MJ-class DPFs, both thermonuclear and beam-target mechanisms can occur over the course of the implosion and contribute to the total neutron production. Hence the neutron source size of a DPF will change throughout the implosion. Experimental neutron radiographs show the increase in source size as the pinch breaks apart, in agreement with simulation's prediction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

New adaptive optics control strategy for petawatt-class laser chains

A new generation of ultra-high intensity femtosecond petawatt- and above-class lasers requires new approaches to wavefront corrections. New challenges for adaptive optics consist in overcoming the constraints of potentially bigger diameters, larger amplitude aberrations, faster optics, higher risk of damaging optical components and faster and easier maintenance. Here we present a new technology of a mechanical deformable mirror, which has a large stroke, high temporal stability, low hysteresis, no print-through effect, easy, safe and fast maintenance and an operating frequency up to 10 Hz. We propose the full correction of the final focal spot in the target chamber by a combination of a standard adaptive optics system, a simple focal plane camera and a phase retrieval correction process. We test the reliability of the correction system in terms of intensity variation and wavefront stability. We further verify correction robustness of the method on a large spectral bandwidth and finally perform a focal spot correction on a terawatt laser system in both low and high-power regimes. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Approximation of periodic functions in the classes H{sub q}{sup {Omega}} by linear methods

The following result is proved: if approximations in the norm of L{sub {infinity}} (of H{sub 1}) of functions in the classes H{sub {infinity}}{sup {Omega}} (in H{sub 1}{sup {Omega}}, respectively) by some linear operators have the same order of magnitude as the best approximations, then the set of norms of these operators is unbounded. Also Bernstein's and the Jackson-Nikol'skii inequalities are proved for trigonometric polynomials with spectra in the sets Q(N) (in {Gamma}(N,{Omega})). Bibliography: 15 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Radon transform on a space over a residue class ring

The functions on a space of dimension N over the residue class ring Z{sub n} modulo n that are invariant with respect to the group GL(N,Z{sub n}) form a commutative convolution algebra. We describe the structure of this algebra and find the eigenvectors and eigenvalues of the operators of multiplication by elements of this algebra. The results thus obtained are applied to solve the inverse problem for the hyperplane Radon transform on Z{sup N}{sub n}. Bibliography: 2 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Solution blow-up for a class of parabolic equations with double nonlinearity

We consider a class of parabolic-type equations with double nonlinearity and derive sufficient conditions for finite time blow-up of its solutions in a bounded domain under the homogeneous Dirichlet condition. To prove the solution blow-up we use a modification of Levine's method. Bibliography: 13 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Anisotropic uniqueness classes for a degenerate parabolic equation

Anisotropic uniqueness classes of Tacklind type are identified for a degenerate linear parabolic equation of the second order in an unbounded domain. The Cauchy problem and mixed problems with boundary conditions of the first and third type are considered. Bibliography: 18 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Conjugacy classes in discrete Heisenberg groups

We study an extension of a discrete Heisenberg group coming from the theory of loop groups and find invariants of conjugacy classes in this group. In some cases, including the case of the integer Heisenberg group, we make these invariants more explicit. Bibliography: 4 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Crystal structure of a Gammadelta T-cell Receptor Specific for the Human MHC class I Homolog MICA

{gamma}{delta} T cells play important roles in bridging innate and adaptive immunity, but their recognition mechanisms remain poorly understood. Human {gamma}{delta} T cells of the V{sub {delta}}1 subset predominate in intestinal epithelia and respond to MICA and MICB (MHC class I chain-related, A and B; MIC) self-antigens, mediating responses to tumorigenesis or viral infection. The crystal structure of an MIC-reactive V{sub {delta}}1 {gamma}{delta} T-cell receptor (TCR) showed expected overall structural homology to antibodies, {alpha}{beta}, and other {gamma}{delta} TCRs, but complementary determining region conformations and conservation of V{sub {delta}}1 use revealed an uncharacteristically flat potential binding surface. MIC, likewise, serves as a ligand for the activating immunoreceptor natural killer group 2, D (NKG2D), also expressed on {gamma}{delta} T cells. Although MIC recognition drives both the TCR-dependent stimulatory and NKG2D-dependent costimulatory signals necessary for activation, interaction analyses showed that MIC binding by the two receptors was mutually exclusive. Analysis of relative binding kinetics suggested sequential recognition, defining constraints for the temporal organization of {gamma}{delta} T-cell/target cell interfaces.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Structural Basis of Differential Ligand Recognition by Two Classes of bis-(3-5)-cyclic Dimeric Guanosine Monophosphate-binding Riboswitches

The bis-(3'-5')-cyclic dimeric guanosine monophosphate (c-di-GMP) signaling pathway regulates biofilm formation, virulence, and other processes in many bacterial species and is critical for their survival. Two classes of c-di-GMP-binding riboswitches have been discovered that bind this second messenger with high affinity and regulate diverse downstream genes, underscoring the importance of RNA receptors in this pathway. We have solved the structure of a c-di-GMP-II riboswitch, which reveals that the ligand is bound as part of a triplex formed with a pseudoknot. The structure also shows that the guanine bases of c-di-GMP are recognized through noncanonical pairings and that the phosphodiester backbone is not contacted by the RNA. Recognition is quite different from that observed in the c-di-GMP-I riboswitch, demonstrating that at least two independent solutions for RNA second messenger binding have evolved. We exploited these differences to design a c-di-GMP analog that selectively binds the c-di-GMP-II aptamer over the c-di-GMP-I RNA. There are several bacterial species that contain both types of riboswitches, and this approach holds promise as an important tool for targeting one riboswitch, and thus one gene, over another in a selective fashion.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Structural analysis of a class III preQ 1 riboswitch reveals an aptamer distant from a ribosome-binding site regulated by fast dynamics

PreQ 1 -III riboswitches are newly identified RNA elements that control bacterial genes in response to preQ 1 (7-aminomethyl-7-deazaguanine), a precursor to the essential hypermodified tRNA base queuosine. Although numerous riboswitches fold as H-type or HL out -type pseudoknots that integrate ligand-binding and regulatory sequences within a single folded domain, the preQ 1 -III riboswitch aptamer forms a HL out -type pseudoknot that does not appear to incorporate its ribosome-binding site (RBS). To understand how this unusual organization confers function, in this paper we determined the crystal structure of the class III preQ 1 riboswitch from Faecalibacterium prausnitzii at 2.75 Å resolution. PreQ 1 binds tightly (K D,app 6.5 ± 0.5 nM) between helices P1 and P2 of a three-way helical junction wherein the third helix, P4, projects orthogonally from the ligand-binding pocket, exposing its stem-loop to base pair with the 3' RBS. Biochemical analysis, computational modeling, and single-molecule FRET imaging demonstrated that preQ 1 enhances P4 reorientation toward P1–P2, promoting a partially nested, H-type pseudoknot in which the RBS undergoes rapid docking (k dock ~0.6 s -1 ) and undocking (k undock ~1.1 s -1 ). Finally, discovery of such dynamic conformational switching provides insight into how a riboswitch with bipartite architecture uses dynamics to modulate expression platform accessibility, thus expanding the known repertoire of gene control strategies used by regulatory RNAs.

59 BASIC BIOLOGICAL SCIENCES↗