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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 OSTI2013

Year-end report on FY13 activities for J8A6

The Russian-3 (R3) HANE, a 60 km high-latitude burst with yield estimated at 300 kt, was chosen for the demonstration. This test was selected because it allowed LLNL to leverage existing funding, which was directed at extending LLNL’s capability to simulate HANEs at atmospheric altitudes (<100 km). David Larsen (LLNL) developed a new particle-tracing code that tracks monoenergetic electrons of various energies from a point source as they interact with the atmosphere, losing energy and ‘pitch-angle scattering’ as they are transported. A relatively large fraction of the initial electrons are able to escape the atmosphere and were handed off to LANL for further processing to calculate the effect on space based assets. LANL binned the electrons into a phase-space density as a function of energy and equatorial pitch-angle and showed that all of the electrons would travel along field lines to the conjugate point in the Southern hemisphere, where they would likely be absorbed, because their equatorial pitch-angles were too field-aligned to permit them to ‘mirror’ above the atmosphere and be ‘trapped’. Thus, the initial LLNL output did not produce any trapped electrons to input into LANL’s diffusion code and so no study of the long-term evolution of the trapped population and its effect on space-based assets could be performed. It was recognized that LLNL’s calculation did not properly model the low-probability, large-angle scattering associated with a single Coulomb interaction between a beta-decay electron and the nucleus of the neutral particles in the high atmosphere, which would be the dominant interaction above some altitude (>100 km) and might allow the electrons to be pitch-angle scattered sufficiently to become trapped. A second LLNL calculation that properly included this single interaction probability was conducted and the output processed by LANL. It was shown that a small fraction of the initial population (~0.01%) would be ‘locally trapped’; however, even this small population would likely be absorbed within a few minutes as the electrons drifted around earth and eventually ended up on field lines where they would be absorbed in the atmosphere. The output of the second LLNL calculation was found to produce about 4x fewer backscattered electrons than previous work (Selesnick et al 2012), and so the remainder of the FY13 LANL effort on the project was aimed at trying to resolve this discrepancy. LANL implemented a stochastic differential equation to simulate the backscatter process so that the results could be compared to Larsen and Selesnick. Initial results from this capability have been obtained, but no quantitative comparison to Larsen or Selesnick has been done yet.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Characterization of Losses in Superconducting Radio-Frequency Cavities by Combined Temperature and Magnetic Field Mapping

Superconducting radio-frequency (SRF) cavities are one of the fundamental building blocks of modern particle accelerators. To achieve the highest quality factors (10 10 -10 11 ), SRF cavities are operated at liquid helium temperatures. Magnetic flux trapped on the surface of SRF cavities during cool-down below the critical temperature is one of the leading sources of residual RF losses. Instruments capable of detecting the distribution of trapped flux on the cavity surface are in high demand in order to better understand its relation to the cavity material, surface treatments and environmental conditions. We have designed, developed, and commissioned two novel diagnostic tools to measure the distribution of trapped flux at the surface of SRF cavities. One is a magnetic field scanning system (MFSS) which uses cryogenic Hall probes and anisotropic magnetoresistance sensors that fit the contour of a 1.3 GHz cavity. The second setup is a stationary, combined magnetic and temperature mapping system which uses AMR sensors and carbon resistor temperature sensors, covering the surface of a 3 GHz SRF cavity. The MFSS system revealed a non-uniform distribution of trapped flux on the cavities' surface, dependent on the magnitude of the applied magnetic field during field-cooling below the critical temperature. The MFSS shows that magnetic field scanning as a function of the RF field indicates redistribution of trapped flux at some locations. About ~ 33% of hot-spots observed by temperature mapping during high power RF tests overlapped with the high B-field spots. Almost all high B-field spots observed after field-cool were found to be overlapped on grain boundaries. A clear correlation between the hot- spot formed after quench and local trapped flux was found, providing insight on the RF dissipation of trap vortices. The combined B&T map system showed that the T-map system is capable of detecting hot-spots and quench location on the surface of the 3 GHz SRF cavity. Different distribution of trapped flux was measured after different cool-down and residual B-field, but, no variation in magnetic field distribution was observed during quench, possibly due to magnetic sensors being far from the quench location.

Parajuli, Ishwari↗
DOE OSTI2014

Enhanced optical property in quaternary GaInAsSb/AlGaAsSb quantum wells

High quality GaInAsSb/AlGaAsSb quantum wells (QWs) have been grown by molecular beam epitaxy using proper interface treatments. By controlling the group-V elements at interfaces, we obtained excellent optical quality QWs, which were free from undesired localized trap states, which may otherwise severely affect the exciton recombination. Strong and highly efficient exciton emissions up to room temperature with a wavelength of 2.2 μm were observed. A comprehensive investigation on the QW quality was carried out using temperature dependent and power dependent photoluminescence (PL) measurements. The PL emission intensity remains nearly constant at low temperatures and is free from the PL quenching from the defect induced localized states. The temperature dependent emission energy had a bulk-like behavior, indicating high quality well/barrier interfaces. Because of the uniformity of the QWs and smooth interfaces, the low temperature limit of inhomogeneous line width broadening is as small as 5 meV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Stabilization of solitons under competing nonlinearities by external potentials

We report results of the analysis for families of one-dimensional (1D) trapped solitons, created by competing self-focusing (SF) quintic and self-defocusing (SDF) cubic nonlinear terms. Two trapping potentials are considered, the harmonic-oscillator (HO) and delta-functional ones. The models apply to optical solitons in colloidal waveguides and other photonic media, and to matter-wave solitons in Bose-Einstein condensates loaded into a quasi-1D trap. For the HO potential, the results are obtained in an approximate form, using the variational and Thomas-Fermi approximations, and in a full numerical form, including the ground state and the first antisymmetric excited one. For the delta-functional attractive potential, the results are produced in a fully analytical form, and verified by means of numerical methods. Both exponentially localized solitons and weakly localized trapped modes are found for the delta-functional potential. The most essential conclusions concern the applicability of competing Vakhitov-Kolokolov (VK) and anti-VK criteria to the identification of the stability of solitons created under the action of the competing SF and SDF terms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Path optimization with limited sensing ability

We propose a computational strategy to find the optimal path for a mobile sensor with limited coverage to traverse a cluttered region. The goal is to find one of the shortest feasible paths to achieve the complete scan of the environment. We pose the problem in the level set framework, and first consider a related question of placing multiple stationary sensors to obtain the full surveillance of the environment. By connecting the stationary locations using the nearest neighbor strategy, we form the initial guess for the path planning problem of the mobile sensor. Then the path is optimized by reducing its length, via solving a system of ordinary differential equations (ODEs), while maintaining the complete scan of the environment. Furthermore, we use intermittent diffusion, which converts the ODEs into stochastic differential equations (SDEs), to find an optimal path whose length is globally minimal. To improve the computation efficiency, we introduce two techniques, one to remove redundant connecting points to reduce the dimension of the system, and the other to deal with the entangled path so the solution can escape the local traps. Numerical examples are shown to illustrate the effectiveness of the proposed method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Passivation of Nickel Vacancy Defects in Nickel Oxide Solar Cells by Targeted Atomic Deposition of Boron

Localized trap states, which are deleterious to the performance of many solar-energy materials, often originate from the under-coordinated bonding associated with defects. Recently, the concept of targeted atomic deposition (TAD) was introduced as a process that permits the passivation of trap states using a vapor-phase precursor that selectively reacts with only the surface defect sites. In this work, we demonstrate the passivation of nickel oxide (NiO) with the TAD process using diborane gas for selective, low-temperature deposition of boron (B) under continuous flow in a chemical vapor deposition (CVD) system. NiO is a ubiquitous cathode material used in dye-sensitized solar cells (DSSCs), organic photovoltaic devices, and organo-lead halide perovskite solar cells. The deposition of B at 100 °C is shown to follow first-order kinetics, exhibiting saturation at a B to Ni atomic ratio of ~10%. Electrochemical measurements, combined with first-principles calculations, indicate that B passivates Ni vacancy defects by partially saturating the bonding of the oxygen atoms adjacent to the vacancy. p-Type DSSCs were fabricated using TAD-treated NiO and show a modest improvement in photovoltaic performance metrics. The results highlight the potential ubiquity of TAD passivation with a range of atomic precursors and vapor-phase processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Wavelength conversion through plasmon-coupled surface states

Surface states generally degrade semiconductor device performance by raising the charge injection barrier height, introducing localized trap states, inducing surface leakage current, and altering the electric potential. We show that the giant built-in electric field created by the surface states can be harnessed to enable passive wavelength conversion without utilizing any nonlinear optical phenomena. Photo-excited surface plasmons are coupled to the surface states to generate an electron gas, which is routed to a nanoantenna array through the giant electric field created by the surface states. The induced current on the nanoantennas, which contains mixing product of different optical frequency components, generates radiation at the beat frequencies of the incident photons. We utilize the functionalities of plasmon-coupled surface states to demonstrate passive wavelength conversion of nanojoule optical pulses at a 1550 nm center wavelength to terahertz regime with efficiencies that exceed nonlinear optical methods by 4-orders of magnitude.

42 ENGINEERING↗
DOE OSTI2023

Adaptive, problem-tailored variational quantum eigensolver mitigates rough parameter landscapes and barren plateaus

Abstract Variational quantum eigensolvers (VQEs) represent a powerful class of hybrid quantum-classical algorithms for computing molecular energies. Various numerical issues exist for these methods, however, including barren plateaus and large numbers of local minima. In this work, we consider the Adaptive, Problem-Tailored Variational Quantum Eiegensolver (ADAPT-VQE) ansätze, and examine how they are impacted by these local minima. We find that while ADAPT-VQE does not remove local minima, the gradient-informed, one-operator-at-a-time circuit construction accomplishes two things: First, it provides an initialization strategy that can yield solutions with over an order of magnitude smaller error compared to random initialization, and which is applicable in situations where chemical intuition cannot help with initialization, i.e., when Hartree-Fock is a poor approximation to the ground state. Second, even if an ADAPT-VQE iteration converges to a local trap at one step, it can still “burrow” toward the exact solution by adding more operators, which preferentially deepens the occupied trap. This same mechanism helps highlight a surprising feature of ADAPT-VQE: It should not suffer optimization problems due to barren plateaus and random initialization. Even if such barren plateaus appear in the parameter landscape, our analysis suggests that ADAPT-VQE avoids such regions by design.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Enhanced superbanana transport caused by chaotic scattering across an asymmetric separatrix

This paper discusses a novel 'chaotic' form of superbanana transport and compares the theory to experiments on non-neutral plasmas. Superbanana transport is caused by particles that cross local trapping separatrices (magnetic or electric ripples) in the presence of field 'errors' such as toroidal magnetic curvature. Traditionally, collisions (at rate {nu}) cause separatrix crossings, with resulting transport that scales as {nu}{sup 1/2}B{sup -1/2}. The 'chaotic' transport of interest here occurs when the separatrix is 'ruffled' in the direction of plasma drift; then, collisionless particle orbits give random trapping and detrapping. Prior theory assumed a 'stellarator symmetry' and suggested that these orbits give reduced transport scaling as {nu}{sup p} with p{approx}1. Here, we fully characterize chaotic transport and show that the transport is enhanced rather than reduced, scaling as {nu}{sup 0}B{sup -1}. Experiments on pure electron plasmas provide quantitative transport measurements, with precise control of the overall field error, and of the trapping separatrix with and without ruffles. The experiments show close agreement with theory over a decade in B, for both collisional neoclassical transport, and for the distinctive chaotic transport. At low magnetic fields, transport scaling as B{sup -p} with p>rsim2 becomes dominant, showing preliminary agreement with bounce-resonant theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Cavity morphology in a Ni based superalloy under heavy ion irradiation with cold pre-injected helium. I

In order to understand radiation damage in the nickel based superalloy Inconel X-750 in thermal reactors, where (n, α) transmutation reaction also occurred in addition to fast neutron induced atomic displacement, heavy ion (1 MeV Kr{sup 2+}) irradiation with pre-injected helium was performed under in-situ observations of an intermediate voltage electron microscope at Argonne National Laboratory. By comparing to our previous studies using 1 MeV Kr{sup 2+} irradiation solely, the pre-injected helium was found to be essential in cavity nucleation. Cavities started to be visible after Kr{sup 2+} irradiation to 2.7 dpa at ≥200 °C in samples containing 200 appm, 1000 appm, and 5000 appm helium, respectively, but not at lower temperatures. The cavity growth was observed during the continuous irradiation. Cavity formation appeared along with a reduced number density of stacking fault tetrahedra, vacancy type defects. With higher pre-injected helium amount, a higher density of smaller cavities was observed. This is considered to be the result of local trapping effect of helium which disperses vacancies. The average cavity size increases with increasing irradiation temperatures; the density reduced; and the distribution of cavities became heterogeneous at elevated temperatures. In contrast to previous characterization of in-reactor neutron irradiated Inconel X-750, no obvious cavity sink to grain boundaries and phase boundaries was found even at high doses and elevated temperatures. MC-type carbides were observed as strong sources for agglomeration of cavities due to their enhanced trapping strength of helium and vacancies.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Examination of the temperature dependent electronic behavior of GeTe for switching applications

The DC and RF electronic behaviors of GeTe-based phase change material switches as a function of temperature, from 25 K to 375 K, have been examined. In its polycrystalline (ON) state, GeTe behaved as a degenerate p-type semiconductor, exhibiting metal-like temperature dependence in the DC regime. This was consistent with the polycrystalline (ON) state RF performance of the switch, which exhibited low resistance S-parameter characteristics. In its amorphous (OFF) state, the GeTe presented significantly greater DC resistance that varied considerably with bias and temperature. At low biases (<1 V) and temperatures (<200 K), the amorphous GeTe low-field resistance dramatically increased, resulting in exceptionally high amorphous-polycrystalline (OFF-ON) resistance ratios, exceeding 10{sup 9} at cryogenic temperatures. At higher biases and temperatures, the amorphous GeTe exhibited nonlinear current-voltage characteristics that were best fit by a space-charge limited conduction model that incorporates the effect of a defect band. The observed conduction behavior suggests the presence of two regions of localized traps within the bandgap of the amorphous GeTe, located at approximately 0.26–0.27 eV and 0.56–0.57 eV from the valence band. Unlike the polycrystalline state, the high resistance DC behavior of amorphous GeTe does not translate to the RF switch performance; instead, a parasitic capacitance associated with the RF switch geometry dominates OFF state RF transmission.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Superbanana transport in the collisional heating of a plasma column forced across a squeeze potential

When weakly collisional plasmas have locally trapped particle populations, perturbations to the plasma equilibrium (such as waves or static field-errors) can induce phase-space discontinuities in the particle distribution function that strongly enhance entropy production, plasma loss, and wave damping via superbanana transport. Here, this paper presents a simple version of this superbanana transport process, wherein a plasma is heated as it is slowly forced back and forth across a squeeze potential (at a frequency ω that is small compared with the particle bounce frequency). The squeeze potential traps low-energy particles on either side of the squeeze, but particles with higher energy can pass through it. Trapped and passing particles have different responses to the forcing, causing a collisionless discontinuity in the distribution function at the separatrix between the trapped and passing particles. Expressions for both the adiabatic and non-adiabatic distribution functions are presented, and the heating rate caused by collisional broadening of the separatrix discontinuity is derived. The heating rate is proportional to √νω , provided that ν<<ω, where ν is the collision rate (i.e., the √ν regime of superbanana theory).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Reducing measurement costs by recycling the Hessian in adaptive variational quantum algorithms

Abstract Adaptive protocols enable the construction of more efficient state preparation circuits in variational quantum algorithms (VQAs) by utilizing data obtained from the quantum processor during the execution of the algorithm. This idea originated with Adaptive Derivative-Assembled Problem-Tailored variational quantum eigensolver (ADAPT-VQE), an algorithm that iteratively grows the state preparation circuit operator by operator, with each new operator accompanied by a new variational parameter, and where all parameters acquired thus far are optimized in each iteration. In ADAPT-VQE and other adaptive VQAs that followed it, it has been shown that initializing parameters to their optimal values from the previous iteration speeds up convergence and avoids shallow local traps in the parameter landscape. However, no other data from the optimization performed at one iteration is carried over to the next. In this work, we propose an improved quasi-Newton optimization protocol specifically tailored to adaptive VQAs. The distinctive feature in our proposal is that approximate second derivatives of the cost function are recycled across iterations in addition to optimal parameter values. We implement a quasi-Newton optimizer where an approximation to the inverse Hessian matrix is continuously built and grown across the iterations of an adaptive VQA. The resulting algorithm has the flavor of a continuous optimization where the dimension of the search space is augmented when the gradient norm falls below a given threshold. We show that this inter-optimization exchange of second-order information leads the approximate Hessian in the state of the optimizer to be consistently closer to the exact Hessian. As a result, our method achieves a superlinear convergence rate even in situations where the typical implementation of a quasi-Newton optimizer converges only linearly. Our protocol decreases the measurement costs in implementing adaptive VQAs on quantum hardware as well as the runtime of their classical simulation.

Ramôa, Mafalda (ORCID:0000000302187801)↗
DOE OSTI2015

Searching for quantum optimal controls under severe constraints

The success of quantum optimal control for both experimental and theoretical objectives is connected to the topology of the corresponding control landscapes, which are free from local traps if three conditions are met: (1) the quantum system is controllable, (2) the Jacobian of the map from the control field to the evolution operator is of full rank, and (3) there are no constraints on the control field. This paper investigates how the violation of assumption (3) affects gradient searches for globally optimal control fields. The satisfaction of assumptions (1) and (2) ensures that the control landscape lacks fundamental traps, but certain control constraints can still prevent successful optimization of the objective. Using optimal control simulations, we show that the most severe field constraints are those that limit essential control resources, such as the number of control variables, the control duration, and the field strength. Proper management of these resources is an issue of great practical importance for optimization in the laboratory. For each resource, we show that constraints exceeding quantifiable limits can introduce artificial traps to the control landscape and prevent gradient searches from reaching a globally optimal solution. These results demonstrate that careful choice of relevant control parameters helps to eliminate artificial traps and facilitate successful optimization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Electrical Control and Transport of Tightly Bound Interlayer Excitons in a MoSe 2 /hBN/MoSe 2 Heterostructure

Controlling interlayer excitons in Van der Waals heterostructures holds promise for exploring Bose-Einstein condensates and developing novel optoelectronic applications, such as excitonic integrated circuits. Despite intensive studies, several key fundamental properties of interlayer excitons, such as their binding energies and interactions with charges, remain not well understood. Here we report the formation of momentum-direct interlayer excitons in a high-quality MoSe 2 /hBN/MoSe 2 heterostructure under an electric field, characterized by bright photoluminescence (PL) emission with high quantum yield and a narrow linewidth of less than 4 meV. These interlayer excitons show electrically tunable emission energy spanning ~1⁢8⁢0 meV through the Stark effect, and exhibit a sizable binding energy of ~8⁢1 meV in the intrinsic regime, along with trion binding energies of a few millielectronvolts. Remarkably, we demonstrate the long-range transport of interlayer excitons with a characteristic diffusion length exceeding 1⁢0 μ⁢m, which can be attributed, in part, to their dipolar repulsive interactions. Further, spatially and polarization-resolved spectroscopic studies reveal rich exciton physics in the system, such as valley polarization, local trapping, and the possible existence of dark interlayer excitons. Furthermore, the formation and transport of tightly bound interlayer excitons with narrow linewidth, coupled with the ability to electrically manipulate their properties, open exciting new avenues for exploring quantum many-body physics, including excitonic condensate and superfluidity, and for developing novel optoelectronic devices, such as exciton and photon routers.

2-dimensional systems↗
DOE OSTI2015

Gate-modulated weak anti-localization and carrier trapping in individual Bi{sub 2}Se{sub 3} nanoribbons

We report a gate-voltage modulation on the weak anti-localization of individual topological insulator Bi{sub 2}Se{sub 3} nanoribbons. The phase coherence length decreases with decreasing the carrier density of the surface states on the bottom surface of the Bi{sub 2}Se{sub 3} nanoribbon as tuning the gate voltage from 0 to −100 V, indicating that the electron-electron interaction dominates the decoherence at low carrier density. Furthermore, we observe an abnormal conductance decline at positive gate voltage regime, which is ascribed to the capture of surface carriers by the trapping centers in the surface oxidation layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Localized states in a semiconductor quantum ring with a tangent wire

We extend a special kind of localized state trapped at the intersection due to the geometric confinement, first proposed in a three-terminal-opening T-shaped structure [L. A. Openov, Europhys. Lett. 55, 539 (2001)], into a ring geometry with a tangent connection to the wire. In this ring geometry, there exists one localized state trapped at the intersection with energy lying inside the lowest subband. We systematically study this localized state and the resulting Fano-type interference due to the coupling between this localized state and the continuum ones. It is found that the increase of inner radius of the ring weakens the coupling to the continuum ones and the asymmetric Fano dip fades away. A wide energy gap in transmission appears due to the interplay of two types of antiresonances: the Fano-type antiresonance and the structure antiresonance. The size of this antiresonance gap can be modulated by adjusting the magnetic flux. Moreover, a large transmission amplitude can be obtained in the same gap area. The strong robustness of the antiresonance gap is demonstrated and shows the feasibility of the proposed geometry for a real application.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗