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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

HOW TO SWITCH A GAMMA-RAY BURST ON AND OFF THROUGH A MAGNETAR

One of the most elusive features of gamma-ray bursts (GRBs) is the sporadic emission prior to the main prompt event observed in at least ∼15% of cases. These precursors have spectral and temporal properties similar to the main prompt emission, and smaller, but comparable, energetics. They are separated from the main event by a quiescent time that may be extremely long, and, in some cases, more than one precursor has been observed in the same burst. Precursors are still a puzzle: despite many attempts, none of the proposed models can account for all the observed features. Based on the complete sample of bright long GRBs observed by Swift (BAT6), we propose a new scenario for which precursors are explained by assuming that the central GRB engine is a newly born magnetar. In this model the precursor and the prompt emission arise from accretion of matter onto the surface of the magnetar. The accretion process can be halted by the centrifugal drag exerted by the rotating magnetosphere onto the infalling matter, allowing for multiple precursors and very long quiescent times.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

ELECTRON ACCELERATION BY CASCADING RECONNECTION IN THE SOLAR CORONA. II. RESISTIVE ELECTRIC FIELD EFFECTS

We investigate electron acceleration by electric fields induced by cascading reconnections in current sheets trailing coronal mass ejections via a test particle approach in the framework of the guiding-center approximation. Although the resistive electric field is much weaker than the inductive electric field, the electron acceleration is still dominated by the former. Anomalous resistivity η is switched on only in regions where the current carrier’s drift velocity is large enough. As a consequence, electron acceleration is very sensitive to the spatial distribution of the resistive electric fields, and electrons accelerated in different segments of the current sheet have different characteristics. Due to the geometry of the 2.5-dimensional electromagnetic fields and strong resistive electric field accelerations, accelerated high-energy electrons can be trapped in the corona, precipitating into the chromosphere or escaping into interplanetary space. The trapped and precipitating electrons can reach a few MeV within 1 s and have a very hard energy distribution. Spatial structure of the acceleration sites may also introduce breaks in the electron energy distribution. Most of the interplanetary electrons reach hundreds of keV with a softer distribution. To compare with observations of solar flares and electrons in solar energetic particle events, we derive hard X-ray spectra produced by the trapped and precipitating electrons, fluxes of the precipitating and interplanetary electrons, and electron spatial distributions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Robust Biaxial Anisotropy and Switchable Néel Vectors in LaFeO 3 Epitaxial Films

Antiferromagnets with highly stable but switchable Néel vectors are desired for antiferromagnetic spintronics with ultrafast speed and terahertz frequencies. Electrical switching of antiferromagnetic insulators has been demonstrated using binary antiferromagnets, while large families of complex antiferromagnets such as perovskites are largely unexplored. Here, we show that epitaxial LaFeO 3 thin films on SrTiO 3 (001) exhibit clear, robust biaxial anisotropy with a spin-flop field of a few tesla. Angular-dependent spin-Hall magnetoresistance (SMR) characterizations of Pt/LaFeO 3 bilayers with the current channel along SrTiO 3 [100] and [110] reveal distinct, intriguing shapes and field dependence. Simulations using a macrospin model accurately describe the main behavior and fine features of the SMR data from which key antiferromagnetic parameters are extracted. Furthermore, remanent SMR measurement confirms the high fidelity of the Néel vector along either easy axis of the biaxial anisotropy, indicating that epitaxial films of LaFeO 3 and potentially other perovskite antiferromagnets offer an attractive platform for antiferromagnetic spintronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

High-voltage MIS-gated GaN transistors

Transistors with a high electron mobility based on AlGaN/GaN epitaxial heterostructures are promising component types for creating high-power electronic devices of the next generation. This is due both to a high charge-carrier mobility in the transistor channel and a high electric durability of the material making it possible to achieve high breakdown voltages. For use in power switching devices, normally off GaN transistors operating in the enrichment mode are required. To create normally off GaN transistors, the subgate region on the basis of p-GaN doped with magnesium is more often used. However, optimization of the p-GaN epitaxial-layer thickness and doping level makes it possible to achieve a threshold voltage close to V{sub th} = +2 V for the on-mode of GaN transistors. In this study, it is shown that the use of a subgate MIS (metal–insulator–semiconductor) structure involved in p-GaN transistors results in an increase in the threshold voltage for the on-mode to V{sub th} = +6.8 V, which depends on the subgate-insulator thickness in a wide range. In addition, it is established that the use of the MIS structure results in a decrease in the initial transistor current and the gate current in the on mode, which enables us to decrease the energy losses when controlling powerful GaN transistors.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Communication: Global flux surface hopping in Liouville space

Recent years have witnessed substantial progress in the surface hopping (SH) formulation of non-adiabatic molecular dynamics. A generalization of the traditional fewest switches SH (FSSH), global flux SH (GFSH) utilizes the gross population flow between states to derive SH probabilities. The Liouville space formulation of FSSH puts state populations and coherences on equal footing, by shifting the hopping dynamics from Hilbert to Liouville space. Both ideas have shown superior results relative to the standard FSSH in Hilbert space, which has been the most popular approach over the past two and a half decades. By merging the two ideas, we develop GFSH in Liouville space. The new method is nearly as straightforward as the standard FSSH, and carries comparable computational expense. Tested with a representative super-exchange model, it gives the best performance among all existing techniques in the FSSH series. The obtained numerical results match almost perfectly the exact quantum mechanical solutions. Moreover, the results are nearly invariant under the choice of a basis state representation for SH, in contrast to the earlier techniques which exhibit notable basis set dependence. Unique to the developed approach, this property is particularly encouraging, because exact quantum dynamics is representation independent. GFSH in Liouville space significantly improves accuracy and applicability of SH for a broad range of chemical and physical processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Development of NDE/NDT Tools for High-Volume & High-Speed Inspection of CFRP Structures in Automotive Manufacturing

Main advantages of the air-coupled ultrasound testing (ACUT) and electromagnetic testing (EMT) techniques for NDE of CFRP composites were non-contact sensing, scalability for high-speed inspection, cost-effectiveness, and non-hazardous operation. Despite these advantages, no systems that would satisfy the project requirements were commercially available. Hence, one of the major efforts of the Michigan State University (MSU) team at the initial stage of the project was to close this technological gap by developing, optimizing, and validating array sensors that would provide sufficient sensitivity, spatial coverage, and resolution for robust defect detection. Optimization of the ACUT and EMT sensor designs was performed using experimentally validated finite element models. Initial experiments using array probes were conducted on relatively flat CFRP samples. In parallel, the MSU team designed and assembled a portable platform with two robotic arms. The robots were equipped with newly designed sensors that enabled high-speed NDE of curved CFRP parts. Presently, the developed robotic platform can be used as a demo/template NDE system, which is easily adaptable to manufacturing environments and in-line NDE. The ACUT NDE system developed by the MSU team used a high-power 4-channel pulser receiver for parallel data acquisition. The array probes were designed by stacking commercially available ACUT transducers, which operated in the frequency range between 100 kHz and 500 kHz. MSU optimized the excitation procedure and developed wave focusing cones so as to reduce the crosstalk between the transducers and to provide higher pulse repletion frequency (PRF). The through-transmission (TT) and single-side access (SSA) inspection modes were successfully implemented. In the TT-ACUT, structural defects in CFRP were detected by passing ultrasonic waves through the test part. Hence, the ACUT transmitters and receivers needed to be placed on the opposite sides of the test part. In the SSA-ACUT, guided waves (GW) were excited in the test part using the transmitters and were sensed by the receivers from the same side. Multi-channel TT-ACUT and SSA-ACUT provided high-speed NDE, and were successfully validated on CFRP test samples with interlaminar delaminations and other embedded defects The EM techniques developed by the MSU team included: 1) eddy current testing (ECT), 2) capacitive imaging (CI) and hybrid dual-mode imaging. In ECT, structural damage was detected in CFRP using coils sensor arrays. In ECT, the excitation magnetic field is generated by passing an alternating current through a coil, which is placed above the test sample. The excitation field penetrates the conductive sample and induces the eddy currents in its transect. In turn, the eddy currents generate the reaction field, which affects the total field sensed by a coil. Hence, the presence of structural flaws will alter the eddy current flow and the picked-up signal. ECT is mostly sensitive to local changes of the electric conductivity of the test sample, and CFRPs are mostly conductive in the direction of carbon fibers. Hence, ECT was well suited for the detection of fiber damage/fiber irregularities. The MSU team developed printed circuit boards (PCB) with coil sensor arrays optimized for NDE of CFRP. Unlike most commercial probes designed for ECT of metallic structures, the MSU array probes were designed for operation in [1-10] MHz frequency range, which was optimal for low-conductive CFRP. Multiple sensing topologies (coil groups excitation/sensing arrangements) were implemented and successfully validated. Capacitive Imaging (CI) technique developed by MSU was complementary to ECT. In contrast to ECT, which was sensitive to local changes of the electrical conductivity, the CI was sensitive to local changes of the dielectric constant. Therefore, CI could provide information about matrix damage/matrix irregularities in CFRP. The MSU CI sensor arrays were made of multiple circular or rectangular open-plate capacitors printed on PCB. Sensors of this type are not commercially available. In addition to ECT and CI, the MSU team developed a hybrid (dual-mode) inductive/capacitive measurement technique that synergistically combined the benefits of inductive and capacitive sensing for rapid NDE of fiber reinforced polymer (FRP) composite structures. Fiber damage and fiber irregularities in FRPs were detected by configuring hybrid sensors as coil sensors. Similarly, matrix damage, matrix irregularities and interlaminar delaminations were detected by configuring hybrid sensors as capacitive sensors. ECT and CI were performed sequentially by means of electronic switching. Hence, eliminating the need for mounting two separate sensor arrays on the probe. Portable robotic platform was developed by MSU for multi-technique high-speed NDE of CFRP test parts. The platform had two 6-axis robots, which enabled inspection of curved parts in approximately a 6×6×6 ft 3 active scan area. On the software side, the MSU team integrated scripts for NDE hardware control with scripts for robot motion control. MSU also implemented automated path planning for the robots, reconstruction of part’s surfaces via stereovision, 3D rendering of inspection data, and image processing algorithms for enhanced defect detection. Automotive composite parts manufactured by Plasan Composites from Phase I were used to validate the ACUT and EMT techniques on representative testbeds. Among those parts were three X-braces for a Dodge Viper, one composite calibration plaque with known defects at known locations, and four other test sections, including sections from a front splitter, a corner section from a composite hood, and a high-pressure RTM panel made using non crimp fabric. Other test samples included CFRP and GFRP calibration plates with fiber/matrix defects fabricated at MSU/CVRC.

36 MATERIALS SCIENCE↗
DOE OSTI2024

2D-EFICACY: Control of Metastable 2D Carbide[1]Chalcogenide Heterolayers: Strain and Moire Engineering

The experimental isolation of graphene led to the discovery of an entirely new world of two-dimensional (2D) materials in which the 2D nature often leads to emergent behaviors not seen in bulk systems. 2D transition metal dichalcogenides (TMDs) exhibit physico-chemical properties that depend on the transition metal, polymorph, thickness, and presence and type of defects. Recently, a group of thin (10-100nm) transition metal carbides (TMCs), such as Mo2C, has been synthesized that exhibit a thickness-dependent superconducting critical temperature (Tc). These thin TMCs are different from MXenes, another class of 2D materials consisting of few layers of nitrides or carbides (<5nm) produced by chemical etching and delamination. The goal of this renewal proposal is to combine experiment and computation to synthesize and elucidate the guiding principles that control the growth, orientation and strain of heterostacks of thin TMCs and TMDs composed with Nb, Ti and W. We expect to stabilize metastable hybrid phases of TMCs sandwiched between TMDs (H-TMD/Cs) with unprecedented physico-chemical properties. As part of previous DOE-funded work by the Terrones/Sinnott groups, thin (10-100 nm thick) Mo2C flakes were successfully synthesized by chemical vapor deposition (CVD). By subsequently exposing Mo2C to H2S, partial chalcogenization was achieved, resulting in heterostacks of MoCx phases and MoS2. The formation of MoS2 led to a deficiency of Mo atoms in the underlying Mo2C, resulting in an inhomogeneous phase change from α-Mo2C to γ’-MoCx and then to γ-MoC. The γ’-MoCx is a strained metastable phase and the heterostack of all three phases demonstrated an increased Tc relative to that of α-Mo2C, from 4 to 6K; its interleaved layered structure consisting of superconducting and semiconducting phases is ideal for future studies of Josephson junction series arrays. Moiré patterns in these heterostacked systems could result in new phenomena, as moiré patterns in bilayer graphene showed unconventional superconductivity and moiré excitons have been observed in twisted TMD heterobilayers. The scientific hypothesis of the proposed synergistic computational and experimental research is that orientation and strain control within confined thin metastable TMCs, sandwiched by stable phases of TMCs and layered TMDs, will depend on kinetic and thermodynamic “knobs” that include fast temperature changes, chalcogen diffusion through preferred crystallographic planes, reaction times, pressure, reactive atmosphere, precursors, and surfactants, which will also tailor properties such as superconductivity, magnetism, ferroelectricity, piezoelectricity, and catalytic performance. We will develop the guiding principles for the synthesis and stabilization of metastable H-TMD/Cs based on Nb, Ti and W. In order to validate the hypothesis, four tasks are proposed: The first task will synthesize ultra-thin TMCs based on Nb, W and Ti, by: 1) adapting the CVD method used for Mo2C, 2) plasma assisted CVD, 3) defect-mediated CVD processes, and 4) cryo-milling of carbide powders. The second task will accomplish the synthesis and basic physico-chemical characterizations of H-TMD/Cs by chalcogenization of the materials synthesized in task one, and by carbonization of TMDs. H-TMD/Cs will also be investigated for their suitability in energy conversion applications such as supercapacitors, Li and multivalent ion batteries, and electrocatalysts, topics of interest to DoE. These tasks will be carried out in close conjunction with density functional theory (DFT) calculations with insights into energetics, lattice parameters, stability, phase diagrams, band structures, and density of states of H-TMD/Cs. The third task will characterize and evaluate strain and moiré patterns at the interfaces of different H-TMD/Cs by high-resolution scanning transmission electron microscopy (HR-STEM), scanning tunneling microscopy (STM), and conductive tip atomic force microscopy. Nudged elastic band calculations with DFT will be performed to understand the chalcogen diffusion process, which will provide insights into the interfaces between different phases of TMCs and TMDs. The fourth task aims at quantifying the stability and dynamics of H-TMD/Cs by in-situ TEM and Raman studies under heating, strain, and electrical biasing. Phonon calculations using DFT will provide a basis for interpreting Raman spectra. This coherent framework involving synthesis, characterization, and computation will result in a broad scientific impact for energy related applications. The ability to develop new H-TMD/Cs will enhance a range of applications that include batteries, catalysts, switches, sensors, quantum computing components and smart coatings.

2-Dimensional materials↗
DOE OSTI2024

2D-EFICACY: Control of Metastable 2D Carbide Chalcogenide Heterolayers: Strain and Moire Engineering

The experimental isolation of graphene led to the discovery of an entirely new world of two-dimensional (2D) materials in which the 2D nature often leads to emergent behaviors not seen in bulk systems. 2D transition metal dichalcogenides (TMDs) exhibit physico-chemical properties that depend on the transition metal, polymorph, thickness, and presence and type of defects. Recently, a group of thin (10-100nm) transition metal carbides (TMCs), such as Mo 2 C, has been synthesized that exhibit a thickness-dependent superconducting critical temperature (Tc). These thin TMCs are different from MXenes, another class of 2D materials consisting of few layers of nitrides or carbides (<5nm) produced by chemical etching and delamination. The goal of this renewal proposal is to combine experiment and computation to synthesize and elucidate the guiding principles that control the growth, orientation and strain of heterostacks of thin TMCs and TMDs composed with Nb, Ti and W. We expect to stabilize metastable hybrid phases of TMCs sandwiched between TMDs (H-TMD/Cs) with unprecedented physico-chemical properties. As part of previous DOE-funded work by the Terrones/Sinnott groups, thin (10-100 nm thick) Mo 2 C flakes were successfully synthesized by chemical vapor deposition (CVD). By subsequently exposing Mo 2 C to H 2 S, partial chalcogenization was achieved, resulting in heterostacks of MoCx phases and MoS 2 . The formation of MoS 2 led to a deficiency of Mo atoms in the underlying Mo 2 C, resulting in an inhomogeneous phase change from α-Mo 2 C to γ’-MoCx and then to γ-MoC. The γ’-MoCx is a strained metastable phase and the heterostack of all three phases demonstrated an increased Tc relative to that of α-Mo 2 C, from 4 to 6K; its interleaved layered structure consisting of superconducting and semiconducting phases is ideal for future studies of Josephson junction series arrays. Moiré patterns in these heterostacked systems could result in new phenomena, as moiré patterns in bilayer graphene showed unconventional superconductivity and moiré excitons have been observed in twisted TMD heterobilayers. The scientific hypothesis of the proposed synergistic computational and experimental research is that orientation and strain control within confined thin metastable TMCs, sandwiched by stable phases of TMCs and layered TMDs, will depend on kinetic and thermodynamic “knobs” that include fast temperature changes, chalcogen diffusion through preferred crystallographic planes, reaction times, pressure, reactive atmosphere, precursors, and surfactants, which will also tailor properties such as superconductivity, magnetism, ferroelectricity, piezoelectricity, and catalytic performance. We will develop the guiding principles for the synthesis and stabilization of metastable H-TMD/Cs based on Nb, Ti and W. In order to validate the hypothesis, four tasks are proposed: The first task will synthesize ultra-thin TMCs based on Nb, W and Ti, by: 1) adapting the CVD method used for Mo 2 C, 2) plasma assisted CVD, 3) defect-mediated CVD processes, and 4) cryo-milling of carbide powders. The second task will accomplish the synthesis and basic physico-chemical characterizations of H-TMD/Cs by chalcogenization of the materials synthesized in task one, and by carbonization of TMDs. H-TMD/Cs will also be investigated for their suitability in energy conversion applications such as supercapacitors, Li and multivalent ion batteries, and electrocatalysts, topics of interest to DoE. These tasks will be carried out in close conjunction with density functional theory (DFT) calculations with insights into energetics, lattice parameters, stability, phase diagrams, band structures, and density of states of H-TMD/Cs. The third task will characterize and evaluate strain and moiré patterns at the interfaces of different H-TMD/Cs by high-resolution scanning transmission electron microscopy (HR-STEM), scanning tunneling microscopy (STM), and conductive tip atomic force microscopy. Nudged elastic band calculations with DFT will be performed to understand the chalcogen diffusion process, which will provide insights into the interfaces between different phases of TMCs and TMDs. The fourth task aims at quantifying the stability and dynamics of H-TMD/Cs by in-situ TEM and Raman studies under heating, strain, and electrical biasing. Phonon calculations using DFT will provide a basis for interpreting Raman spectra. This coherent framework involving synthesis, characterization, and computation will result in a broad scientific impact for energy related applications. The ability to develop new H-TMD/Cs will enhance a range of applications that include batteries, catalysts, switches, sensors, quantum computing components and smart coatings.

2-Dimensional Materials↗
DOE OSTI2014

Full dimensional Franck-Condon factors for the acetylene A{sup ~} {sup 1}A{sub u}—X{sup ~1}Σ{sup +}{sub g} transition. I. Method for calculating polyatomic linear—bent vibrational intensity factors and evaluation of calculated intensities for the gerade vibrational modes in acetylene

Franck-Condon vibrational overlap integrals for the A{sup ~1}A{sub u}—X{sup ~1}Σ{sup +}{sub g} transition in acetylene have been calculated in full dimension in the harmonic normal mode basis. The calculation uses the method of generating functions first developed for polyatomic Franck-Condon factors by Sharp and Rosenstock [J. Chem. Phys. 41(11), 3453–3463 (1964)], and previously applied to acetylene by Watson [J. Mol. Spectrosc. 207(2), 276–284 (2001)] in a reduced-dimension calculation. Because the transition involves a large change in the equilibrium geometry of the electronic states, two different types of corrections to the coordinate transformation are considered to first order: corrections for axis-switching between the Cartesian molecular frames and corrections for the curvilinear nature of the normal modes at large amplitude. The angular factor in the wave function for the out-of-plane component of the trans bending mode, ν{sub 4}{sup ″}, is treated as a rotation, which results in an Eckart constraint on the polar coordinates of the bending modes. To simplify the calculation, the other degenerate bending mode, ν{sub 5}{sup ″}, is integrated in the Cartesian basis and later transformed to the constrained polar coordinate basis, restoring the conventional v and l quantum numbers. An updated A{sup ~}-state harmonic force field obtained recently in the R. W. Field research group is evaluated. The results for transitions involving the gerade vibrational modes are in qualitative agreement with experiment. Calculated results for transitions involving ungerade modes are presented in Paper II of this series [G. B. Park, J. H. Baraban, and R. W. Field, “Full dimensional Franck–Condon factors for the acetylene A{sup ~1}A{sub u}—X{sup ~1}Σ{sup +}{sub g} transition. II. Vibrational overlap factors for levels involving excitation in ungerade modes,” J. Chem. Phys. 141, 134305 (2014)].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Design and Preliminary Experimental Results on a Uniform-Field Test Fixture for Power Flow Experiments

Electrodes that produce a uniform electric field across their surfaces are desired for a variety of high-voltage systems including spark-gap switches and transversely excited atmospheric lasers. Here, the implementation of uniform-field electrodes to a parallel-plate load is described for the study of vacuum power flow under pulsed-power applications. We begin with an overview of general uniform-field geometries, and provide an open-source program that generates these geometries as described by Ernst. Following that, a modification to an existing power-flow experimental platform, that adopts a uniform-field geometry, is introduced and its utility is described. Lastly, preliminary experimental results are presented and future steps are outlined.

Capacitors↗
DOE OSTI2017

Enhancement of spin-lattice coupling in nanoengineered oxide films and heterostructures by laser MBE

The objective of the proposed research is to investigate nanoengineered oxide films and multilayer structures that are predicted to show desirable properties. The main focus of the project is an atomic layer-by-layer laser MBE (ALL-Laser MBE ) technique that is superior to the conventional laser MBE in broadening the conditions for the synthesis of high quality nanoscale oxides and new designer materials. In ALL-Laser MBE, separate oxide targets are used instead of one compound target in the conventional laser MBE. The targets are switched back and forth in front of a UV laser beam as they are alternately ablated. The oxide film is thus constructed one atomic layer at a time. The growth of each atomic layer is monitored and controlled by the reflection high energy electron diffraction (RHEED). The intensity of the diffraction spots increases or decreases depending on the chemistry of each atomic layer as well as the surface roughness. This allows us to determine whether the chemical ratio of the different elements in the films meets the desired value and whether each atomic layer is complete. ALL-Laser MBE is versatile: it works for non-polar film on non-polar substrate, polar film on polar substrate, and polar film on non-polar substrate. (In a polar material, each atomic layer is charged whereas in a non-polar material the atomic layers are charge neutral.) It allows one to push the thermodynamic boundary further in stabilizing new phases than reactive MBE and PLD, two of the most successful techniques for oxide thin films. For example, La 5 Ni 4 O 13 , the Ruddlesden-Popper phase with n = 4, has never been reported in the literature because it needs atomic layer-by-layer growth at high oxygen pressures, not possible with other growth techniques. ALL-Laser MBE makes it possible. We have studied the interfacial 2-dimensional electron gas in the LaAlO 3 /SrTiO 3 system, whose mechanism has been a subject of controversy. According to the most prevailing electronic reconstruction mechanism, a positive diverging electric potential is built up in the polar LaAlO 3 film when it is grown on a TiO 2 -terminated SrTiO 3 substrate, which is non-polar. This leads to the transfer of half of an electron from the LaAlO 3 film surface to SrTiO 3 when the LaAlO 3 layer is thicker than 4 unit cells, creating a 2D electron gas at the interface with a sheet carrier density of 3.3×10 14 /cm 2 for sufficiently thick LaAlO 3 . A serious inconsistency with this mechanism is that the carrier densities reported experimentally are invariably lower than the expected value. The most likely reason is that the SrTiO 3 substrate is oxygen difficient due to the low oxygen pressures (< 10 mTorr) during growth, and post-growth annealing in oxygen is often used to remove the oxygen vacancies. People cannot grow the LaAlO 3 film in higher oxygen pressures - it results in insulating samples or 3D island growth. Because we grow the LaAlO 3 film one atomic layer at a time, we were able to grow conducting LaAlO 3 /SrTiO 3 interfaces at a high oxygen pressure with ALL-Laser MBE, as high as 37 mTorr. The high oxygen pressure helps to prevent the possible oxygen reduction in SrTiO 3 , ensure that the LaAlO 3 films are sufficiently oxygenated. Measurements of x-ray linear dichroism (XLD) and x-ray magnetic circular dichroism (XMCD) both show that the spectra of our films are similar to those of well oxygenated samples. In the LaAlO 3 /SrTiO 3 interfaces grown by ALL-Laser MBE at 37 mTorr oxygen pressure, a quantitative agreement between our experimental result and the theoretical prediction was observed, which provides a strong support to the electronic reconstruction mechanism. The key differences between our result and the previous reports are the high oxygen pressure during the film growth and the high film crystallinity. The high oxygen pressure suppresses the likelihood of oxygen vacancies in SrTiO 3 . Well oxygenated samples produced during film growth can avoid possible defects when sufficient oxygen is provided only after the growth by annealing. Using ALL-Laser MBE, we also synthesized high-quality singlec-rystalline CaMnO 3 films. The systematic increase of the oxygen vacancy content in CaMnO 3 as a function of applied in-plane strain is observed and confirmed experimentally using high-resolution soft x-ray XAS and hard x-ray photoemission spectroscopy (HAXPES). The relevant defect states in the densities of states are identified and the vacancy content in the films quantified using the combination of first-principles theory and core-hole multiplet calculations with holistic fitting. The strain-induced oxygen-vacancy formation and ordering are a promising avenue for designing and controlling new functionalities in complex transition-metal oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane

The small GTPase KRAS is localized at the plasma membrane where it functions as a molecular switch, coupling extracellular growth factor stimulation to intracellular signaling networks. In this process, KRAS recruits effectors, such as RAF kinase, to the plasma membrane where they are activated by a series of complex molecular steps. Defining the membrane-bound state of KRAS is fundamental to understanding the activation of RAF kinase and in evaluating novel therapeutic opportunities for the inhibition of oncogenic KRAS-mediated signaling. We combined multiple biophysical measurements and computational methodologies to generate a consensus model for authentically processed, membrane-anchored KRAS. In contrast to the two membrane-proximal conformations previously reported, we identify a third significantly populated state using a combination of neutron reflectivity, fast photochemical oxidation of proteins (FPOP), and NMR. In this highly populated state, which we refer to as “membrane-distal” and estimate to comprise ~90% of the ensemble, the G-domain does not directly contact the membrane but is tethered via its C-terminal hypervariable region and carboxymethylated farnesyl moiety, as shown by FPOP. Subsequent interaction of the RAF1 RAS binding domain with KRAS does not significantly change G-domain configurations on the membrane but affects their relative populations. Overall, our results are consistent with a directional fly-casting mechanism for KRAS, in which the membrane-distal state of the G-domain can effectively recruit RAF kinase from the cytoplasm for activation at the membrane.

KRAS↗
DOE OSTI2012

Beam Size Measurement by Optical Diffraction Radiation and Laser System for Compton Polarimeter

Beam diagnostics is an essential constituent of any accelerator, so that it is named as "organs of sense" or "eyes of the accelerator." Beam diagnostics is a rich field. A great variety of physical effects or physical principles are made use of in this field. Some devices are based on electro-magnetic influence by moving charges, such as faraday cups, beam transformers, pick-ups; Some are related to Coulomb interaction of charged particles with matter, such as scintillators, viewing screens, ionization chambers; Nuclear or elementary particle physics interactions happen in some other devices, like beam loss monitors, polarimeters, luminosity monitors; Some measure photons emitted by moving charges, such as transition radiation, synchrotron radiation monitors and diffraction radiation-which is the topic of the first part of this thesis; Also, some make use of interaction of particles with photons, such as laser wire and Compton polarimeters-which is the second part of my thesis. Diagnostics let us perceive what properties a beam has and how it behaves in a machine, give us guideline for commissioning, controlling the machine and indispensable parameters vital to physics experiments. In the next two decades, the research highlight will be colliders (TESLA, CLIC, JLC) and fourth-generation light sources (TESLA FEL, LCLS, Spring 8 FEL) based on linear accelerator. These machines require a new generation of accelerator with smaller beam, better stability and greater efficiency. Compared with those existing linear accelerators, the performance of next generation linear accelerator will be doubled in all aspects, such as 10 times smaller horizontal beam size, more than 10 times smaller vertical beam size and a few or more times higher peak power. Furthermore, some special positions in the accelerator have even more stringent requirements, such as the interaction point of colliders and wigglor of free electron lasers. Higher performance of these accelerators increases the difficulty of diagnostics. For most cases, intercepting measurements are no longer acceptable, and nonintercepting method like synchrotron radiation monitor can not be applied to linear accelerators. The development of accelerator technology asks for simutanous diagnostics innovations, to expand the performance of diagnostic tools to meet the requirements of the next generation accelerators. Diffraction radiation and inverse Compton scattering are two of the most promising techniques, their nonintercepting nature avoids perturbance to the beam and damage to the instrumentation. This thesis is divided into two parts, beam size measurement by optical diffraction radiation and Laser system for Compton polarimeter. Diffraction radiation, produced by the interaction between the electric field of charged particles and the target, is related to transition radiation. Even though the theory of diffraction radiation has been discussed since 1960s, there are only a few experimental studies in recent years. The successful beam size measurement by optical diffraction radiation at CEBAF machine is a milestone: First of all, we have successfully demonstrated diffraction radiation as an effective nonintercepting diagnostics; Secondly, the simple linear relationship between the diffraction radiation image size and the actual beam size improves the reliability of ODR measurements; And, we measured the polarized components of diffraction radiation for the first time and I analyzed the contribution from edge radiation to diffraction radiation.

43 PARTICLE ACCELERATORS↗