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At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Hybrid model predictive control techniques for safety factor profile and stored energy regulation while incorporating NBI constraints

Abstract A novel hybrid Model Predictive Control (MPC) algorithm has been designed for simultaneous safety factor ( q ) profile and stored energy ( w ) control while incorporating the pulse-width-modulation constraints associated with the neutral beam injection (NBI) system. Regulation of the q -profile has been extensively shown to be a key factor for improved confinement as well as non-inductive sustainment of the plasma current. Simultaneous control of w is necessary to prevent the triggering of pressure-driven magnetohydrodynamic instabilities as the controller shapes the q profile. Conventional MPC schemes proposed for q -profile control have considered the NBI powers as continuous-time signals, ignoring the discrete-time nature of these actuators and leading in some cases to performance loss. The hybrid MPC scheme in this work has the capability of incorporating the discrete-time actuator dynamics as additional constraints. In nonlinear simulations, the proposed hybrid MPC scheme demonstrates improved q -profile+ w control performance for NSTX-U operating scenarios.

Physics↗
DOE OSTI2024

Chemistry in Retrieved Ryugu Asteroid Samples Revealed by Non-Invasive X-ray Microanalyses: Pink-Beam Fluorescence CT and Tender-Energy Absorption Spectroscopy

The Hayabusa2 space mission recently retrieved 5.4 g of material from asteroid Ryugu, providing the first direct access to pristine material from a carbonaceous asteroid. This study employs a novel combination of non-invasive synchrotron X-ray techniques to examine microscale chemistry (elemental distributions and element-specific chemical speciation and local structure) inside Ryugu grains without physically cutting the samples. Manganese primarily occurs in carbonate: Mn-bearing dolomite with minor earlier ankerite. Iron sulfides present as large single grains and as smaller particles in the finer-grained matrix are both predominantly pyrrhotite. At the 5 μm scale, Fe sulfides do not show the mineralogical heterogeneity seen in many carbonaceous meteorites but exhibit some heterogeneous localized oxidation. Iron is present often as intergrowths of oxide and sulfide, indicating incomplete replacement. Trace selenium substitutes for S in pyrrhotite. Copper is present as Fe-poor Cu sulfide. These results demonstrate multiple episodes of fluid alteration on the parent body, including partial oxidation, and help constrain the sequence or evolution of fluids and processes that resulted in the current grain-scale mineralogical composition of Ryugu materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Morphological and chemical characteristics of oxide scales formed on δ-Phase plutonium metal alloys I: 3.5 at% ga

Focused ion-beam scanning electron microscopy (FIB-SEM) and three-dimensional (3D) microscopy were applied to characterize the subsurface morphological features of oxide scales formed on an ~3.5 at.% Ga plutonium (Pu) metal alloy. Using the FIB-SEM technique, a number of morphological features formed in the interior of the oxide scale from Pu metal's environmental exposure were observed and identified. Here, Auger electron spectroscopy (AES) was utilized to characterize the cross-sectional composition and chemistry of the oxide scale. The oxide scale formed during inert storage and operational environments has a characteristic internal scale structure that includes a relatively dense oxide layer with some lateral and transverse cracking. Generally, after subsequent exposure to dry air environment, the oxide scale retained most of the original structural and chemical characteristics. However, after aging in a moist air environment, while the oxide scale was found to maintain the chemical characteristics of the source oxide, the scale was found to be on average thinner and without the previously observed internal microcracking, likely the result of spallation of the source scale during exposure to the new environment.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Towards a wavefront-preservation X-ray crystal monochromator for high-repetition-rate FELs

The wavefront preservation of coherent X-ray free-electron laser beams is pushing the requirement on the quality and performance of X-ray optics to an unprecedented level. The Strehl ratio can be used to quantify this requirement. In this paper, the criteria for thermal deformation of the X-ray optics are formulated, especially for crystal monochromators. To preserve the X-ray wavefront, the standard deviation of the height error should be sub-nm for mirrors and less than 25 pm for crystal monochromators. Cryocooled silicon crystals combined with two techniques can be used to achieve this level of performance for monochromator crystals: (1) using a focusing element to compensate the second-order component of the thermal deformation; (2) introducing a cooling pad between the cooling block and silicon crystal and optimizing the effective cooling temperature. Each of these techniques allows the thermal deformation in standard deviation of the height error to be reduced by an order of magnitude. As an example, for the LCLS-II-HE Dynamic X-ray Scattering instrument, the criteria on thermal deformation of a high-heat-load monochromator crystal can be achieved for a 100 W SASE FEL beam. Wavefront propagation simulations confirm that the reflected beam intensity profile is satisfactory on both the peak power density and focused beam size.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Effect of Stoichiometry on the Structure and Polarization of BaTiO 3

Barium titanate (BaTiO 3 ) is a material of interest for photonic device applications due to its strong optical non-linearity. However, BaTiO 3 -based devices have not found widespread adoption, in part due to the challenges associated with synthesizing high quality thin-films. Here, high-resolution scanning transmission electron microscope (STEM) imaging is used to investigate the atomic structure of both on- and off-stoichiometric BaTiO 3 synthesized by molecular beam epitaxy (MBE). Here, this investigation reveals an asymmetry in the way the BaTiO 3 atomic lattice accommodates off-stoichiometry growth and unveils features beyond what is expected from diffraction or surface characterization techniques. Excess titanium incorporates into the BaTiO 3 lattice to form pervasive defects despite titanium-rich films having a low surface roughness and high-quality appearance in diffraction. Excess barium forms a rough, water-soluble surface layer but does not significantly impact the quality of the BaTiO 3 lattice. STEM is used to map titanium atom displacement in real-space. The average displacement distance is 30–60 pm in the strained thin-films, higher than the <20 pm displacement in bulk BaTiO 3 . Additionally, the titanium atom displacement direction deviates from the c-axis of the unit cell, which may have implications for the material's electro-optic tensor and thus for electro-optic device design.

Cavanagh, Ashley E. [Harvard Univ., Cambridge, MA ↗
DOE OSTI2022

Probing Distinctive Redox Mechanism in Ni-Rich Cathode Via Real-Time Quick X-Ray Absorption Spectroscopy

X-ray radiation damage on the measuring system has been a critical issue regularly for a long-time exposure to X-ray beam during the in operando characterizations, which is particularly severe when the applied X-ray energy is near the absorption edges (M, L, K, etc.) of the interest element. Here, to minimize the negative effects raised by beam radiation, we employ quick X-ray absorption spectroscopy (QXAS) to study the electrochemical reaction mechanism of a Ni-rich layered structure cathode for lithium-ion batteries. With the advanced QXAS technique, the electronic structure and local coordination environment of the transition metals (TMs) are monitored in-operando with limited radiation damage. Compared to the conventional step-mode X-ray absorption spectroscopy, the QXAS can provide more reliable oxidation state change and more detailed local structure evolutions surrounding TMs (Ni and Co) in Ni-rich layered oxides. By leveraging these advantages of QXAS, we demonstrated that the Ni dominates the electrochemical process with the Co being almost electrochemically inactive. Reversible Ni ions movement between TMs sites and Li sites is also revealed by the time-resolved QXAS technique.

25 ENERGY STORAGE↗
DOE OSTI2024

Synthesis and Polymorph Manipulation of FeSe 2 Monolayers

Polymorph engineering involves the manipulation of material properties through controlled structural modification and is a candidate technique for creating unique two-dimensional transition metal dichalcogenide (TMDC) nanodevices. Despite its promise, polymorph engineering of magnetic TMDC monolayers has not yet been demonstrated. Here we grow FeSe 2 monolayers via molecular beam epitaxy and find that they have great promise for magnetic polymorph engineering. Using scanning tunneling microscopy (STM) and spectroscopy (STS), we find that FeSe 2 monolayers predominantly display a 1T' structural polymorph at 5 K. Application of voltage pulses from an STM tip causes a local, reversible transition from the 1T' phase to the 1T phase. Density functional theory calculations suggest that this single-layer structural phase transition is accompanied by a magnetic transition from an antiferromagnetic to a ferromagnetic configuration. In conclusion, these results open new possibilities for creating functional magnetic devices with TMDC monolayers via polymorph engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Understanding ICF hohlraums using NIF gated laser-entrance-hole images

The newly available ns-gated laser-entrance-hole (LEH) imager on the National Ignition Facility provides routine, non-perturbative measurements of the x-ray emission from laser-heated plasmas inside the hohlraum as viewed at 19° to the hohlraum axis through one of its LEHs. Multiple images are acquired for a series of times and filter-selected x-ray energy bands within a single shot. The images provide time dependent data on phenomena including the effective radius of the LEH, the length of the gold-plasma “bubble” evolving off the interior wall surface heated by the outer beams, the evolving radius of the x-ray heated hohlraum wall, and the radius of the ablation front of the fusion capsule. Here, these measurements are explained and illustrated with sample data. These techniques are then applied to understand hohlraum behavior as a function of gas fill. For hohlraums with helium gas fill densities of 0.15 to 0.30 mg/cm 3 , synthetic images computed from simulations agree well with experimental gated LEH images when an inhibited heat transport model [Jones et al., Phys. Plasmas 24, 056312 (2017)] is used. This model can be adjusted to reproduce the expansion rate of the laser-heated plasma bubble in such a way as to improve agreement with the images. At the higher 0.6 mg/cc gas fill, the experimental images show more pronounced 3D features, resulting in slightly less good agreement with the 2D simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Reduction of spectroscopic overlap across the Z = 8 shell in neutron-rich nuclei

The recent discovery and spectroscopic measurements of 27 O and 28 O suggests the disappearance of the N = 20 shell structure in these neutron-rich oxygen isotopes. We measured one- and two-proton removal cross sections from 27 F and 29 N, respectively, extracting spectroscopic factors and comparing them to shell model overlap functions coupled with eikonal reaction model calculations. The invariant mass technique was used to reconstruct the two-body ( 24 O + n) and three-body ( 24 O + 2n) decay energies from knockout reactions of 27 F (106.2 MeV/u) and 29 Ne (112.8 MeV/u) beams impinging on a 9 Be target. The one-proton removal from 27 F strongly populated the ground state of 26 O and the extracted cross section of $3.4^{+0.3}_{-1.5}$ mb agrees with eikonal model calculations that are normalized by the shell model spectroscopic factors and account for the systematic reduction factor observed for single nucleon removal reactions within the models used. For the two-proton removal reaction from 29 Ne an upper limit of 0.08 mb was extracted for populating states in 27 O decaying though the ground state of 26 O. The measured upper limit for the population of the ground state of 26 O in the two-proton removal reaction from 29 Ne indicates a significant difference in the underlying nuclear structure of 27 F and 29 Ne.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Superconductivity in the Parent Infinite-Layer Nickelate NdNiO 2

We report evidence for superconductivity with onset temperatures up to 11 K in thin films of the infinite-layer nickelate parent compound NdNiO 2 . A combination of oxide molecular beam epitaxy and atomic hydrogen reduction yields samples with high crystallinity and low residual resistivities, a substantial fraction of which exhibit superconducting transitions. We survey a large series of samples with a variety of techniques, including electrical transport, scanning transmission electron microscopy, x-ray absorption spectroscopy, and resonant inelastic x-ray scattering, to investigate the possible origins of superconductivity. We propose that superconductivity could be intrinsic to the undoped infinite-layer nickelates but suppressed by disorder due to a possibly sign-changing order parameter, a finding which would necessitate a reconsideration of the nickelate phase diagram. Another possible hypothesis is that the parent materials can be hole doped from randomly dispersed apical oxygen atoms, which would suggest an alternative pathway for achieving superconductivity. Published by the American Physical Society 2025

36 MATERIALS SCIENCE↗
DOE OSTI2024

Monte Carlo Simulation of Electron Interactions in an MeV-STEM for Thick Frozen Biological Sample Imaging

A variety of volume electron microscopy techniques have been developed to visualize thick biological samples. However, the resolution is limited by the sliced section thickness (>30–60 nm). To preserve biological samples in a hydrated state, cryo-focused ion beam scanning electron microscopy has been developed, providing nm resolutions. However, this method is time-consuming, requiring 15–20 h to image a 10 μm thick sample with an 8 nm slice thickness. There is a pressing need for a method that allows the rapid and efficient study of thick biological samples while maintaining nanoscale resolution. The remarkable ability of mega-electron-volt (MeV) electrons to penetrate thick biological samples, even exceeding 10 μm in thickness, while maintaining nanoscale resolution, positions MeV-STEM as a suitable microscopy tool for such applications. Our research delves into understanding the interactions between MeV electrons and frozen biological specimens through Monte Carlo simulations. Single elastic scattering, plural elastic scattering, single inelastic scattering, and plural inelastic scattering events have been simulated. The electron trajectories, the beam profile, and the intensity change of electrons in each category have been investigated. Additionally, the effects of the detector collection angle and the focal position of the electron beam were investigated. As electrons penetrated deeper into the specimen, single and plural elastic scattered electrons diminished, and plural inelastic scattered electrons became dominant, and the beam profile became wider. Even after 10 μm of the specimen, 42% of the MeV electrons were collected within 10 mrad. This confirms that MeV-STEM can be employed to study thick biological samples.

electron specimen interaction↗
DOE OSTI2025

Wafer-Free Crystalline Silicon Solar Cells (CRADA Final Report)

This CRADA project, based on the DOE Solar Energy Technologies Office (SETO) Solar Prize Voucher program, helped Leap Photovoltaics to develop methodologies to immobilize Si particles by permanently attaching them to an Al-coated substrate and thereby forming carrier-selective electrical contacts to the Si particles. The bigger goal was to help Leap Photovoltaics develop these immobilized and contacted particle arrays into relatively efficient, inexpensive, and industrially relevant solar cells. By using Si particles instead of wafers in a solar cell absorber layer, one can avoid costs associated with growing monocrystalline Si ingots, then diamond-sawing them into wafers, then processing wafers into cells – a mainstream practice in today's high-efficiency Si cell and module technology. Monocrystalline or polycrystalline Si particles can be obtained in various ways: for example, Si kerf from wafer sawing is monocrystalline; recycled Si cell wafers can be ball-milled into particles; particles can be grown using various gas-phase techniques (mostly from SiH4). These Si particles can be assembled onto a substrate and serve as an absorber layer for the solar cell, absorbing photons to generate photocarriers. The challenge with this technique is to collect photocarriers from individual Si particles, with separation of photogenerated electrons to the negative cell’s electrode and positive photogenerated holes to the positive electrode. Therefore, each particle must have two isolated, carrier-selective contacts: one for electrons and one for holes. Plus, particles need to be immobilized onto a solid substrate. The goal of this work was focused on the immobilization of Si particles and creating hole-selective contact to them at the same time, using industrially relevant Si photovoltaic (PV) cell technology: screen printing of Al back-surface field electrodes. This is used in the mainstream Propane Education and Research Council (PERC) technology for hole-collecting contacts at the back of the cell. The work performed at NREL consisted of screen printing of Al metal paste on substrates, spreading Si particles onto it, and thermally processing the structures to form hole-collecting contacts. The final structures were investigated by scanning electron microscopy (SEM) after focused ion beam (FIB) cross-sectioning and polishing. The work was done jointly by NREL staff and Leap Photovoltaics (Leap PV) employees stationed at NREL. The samples were then taken to Leap PV for further processing. Training the Leap PV employee on various NREL techniques (laser cutting, screen printing, thermal processing, characterization) was part of the scope.

14 SOLAR ENERGY↗
DOE OSTI2020

Direct Write of 3D Nanoscale Mesh Objects with Platinum Precursor via Focused Helium Ion Beam Induced Deposition

The next generation optical, electronic, biological, and sensing devices as well as platforms will inevitably extend their architecture into the 3rd dimension to enhance functionality. In focused ion beam induced deposition (FIBID), a helium gas field ion source can be used with an organometallic precursor gas to fabricate nanoscale structures in 3D with high-precision and smaller critical dimensions than focused electron beam induced deposition (FEBID), traditional liquid metal source FIBID, or other additive manufacturing technology. In this work, we report the effect of beam current, dwell time, and pixel pitch on the resultant segment and angle growth for nanoscale 3D mesh objects. We note subtle beam heating effects, which impact the segment angle and the feature size. Additionally, we investigate the competition of material deposition and sputtering during the 3D FIBID process, with helium ion microscopy experiments and Monte Carlo simulations. Our results show complex 3D mesh structures measuring ~300 nm in the largest dimension, with individual features as small as 16 nm at full width half maximum (FWHM). These assemblies can be completed in minutes, with the underlying fabrication technology compatible with existing lithographic techniques, suggesting a higher-throughput pathway to integrating FIBID with established nanofabrication techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2020

In situ laser reflectivity to monitor and control the nucleation and growth of atomically thin 2D materials*

The growth of atomically thin two-dimensional (2D) layered and other quantum materials is typically performed without in situ monitoring or control. Here, a simple laser reflectivity approach is demonstrated to provide in situ control over sub-monolayer thickness and growth kinetics during pulsed laser deposition (PLD) of MoSe 2 layers. First, the general technique is presented with emphasis on designing the maximum sensitivity of the optical contrast through consideration of Fresnel's equations with proper choice of layer thickness, substrate, and laser monitoring wavelength, incidence angle, and laser polarization. Then the 632.8 nm optical reflectivity of MoSe 2 layers on SiO 2 /Si substrates was predicted and compared with in situ monitoring of MoSe 2 growth by PLD under actual growth conditions using a probe HeNe laser beam. The measurements showed high sensitivity and excellent agreement with MoSe 2 surface coverages calculated from atomic resolution STEM analysis of 2D layers deposited in arrested growth experiments. Finally, growth kinetics revealed by these measurements showed sigmoidal nucleation and growth stages in the formation of the 2D MoSe 2 layers that are described by a simple model, indicating the promise of the laser reflectivity technique for in situ monitoring and control of 2D materials deposition.

2D materials↗
DOE OSTI2026

Thermoreflectance Detection of Point Defects Resulting from Focused Ion Beam Milling

Focused ion beam (FIB) milling is a commonly used tool for nanoscale material processing, such as for transmission electron microscopy (TEM) sample preparation, or the creation of fiducial markers prior to other processes and measurements. During milling, a high energy ion beam is used to remove material via sputtering. The expelled target material may return to the sample surface however, affecting subsequent measurements. Beam spreading or irradiation due to neutral gallium may also irradiate a larger area than intended. Extensive research has explored the effects of FIB milling on the prepared TEM sample, but few have looked at the effects of milling on the properties of the sample surrounding the milled region. We use multiple pump-probe laser-based techniques (time domain thermoreflectance and steady-state thermoreflectance) to measure the spatial extent of FIB-induced surface/subsurface changes on a series of silicon wafers milled at multiple currents and doses. We supplement these measurements with high-resolution scanning transmission electron microscopy, energy dispersive X-ray spectroscopy, stylus profilometry, and time-of-flight secondary ion mass spectroscopy. We find a sample surface affected by the FIB up to 1 mm from where milling occurred, with a notable dependence on the ion beam current. We also note remarkably high sensitivity to surface defects using the thermoreflectance metrologies, including detection where other measurements failed.

defects↗
DOE OSTI2021

Morphological and chemical characteristics of oxide scales formed on δ-phase plutonium metal alloys II: 2.0 at% Ga

The focused ion-beam scanning electron microscopy (FIB-SEM) and three-dimensional (3D) microscopy were applied to characterize the subsurface morphological features of oxide scales formed on an ~2.0 at. % Ga plutonium (Pu) metal alloy. Using the FIB-SEM technique, a number of morphological features formed in the interior of the oxide scale from Pu metal’s environmental exposure were observed and identified. Auger electron spectroscopy (AES) was utilized to characterize the cross-sectional composition and chemistry of the oxide scale. The oxide scale formed during inert storage and operational environments was found to be highly variable in thickness and morphology, presenting some regions with a thin (<400 nm), dense oxide layer and others with a thick (>2 µm) scale with substantial lateral cracking. After subsequent exposure to dry air environment, the oxide scale became thicker (~4 µm) and slightly more porous. The changes following aging in a moist air environment were observed to be more severe, with the formation of a highly porous internal structure containing significant lateral and transverse cracking. In comparison to the scale formed on an ~3.5 at. % Ga-Pu metal alloy, the oxide morphology of the lower gallium alloy investigated here exhibited greater variation in thickness and a noteworthy dependence on the presence of water vapor, particularly in terms of the internal porosity formed during growth of the oxide.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Parallel Quantum-Enhanced Sensing

Quantum metrology takes advantage of quantum correlations to enhance the sensitivity of sensors and measurement techniques beyond their fundamental classical limit, given by the shot-noise limit. The use of both temporal and spatial correlations present in quantum states of light can extend quantum-enhanced sensing to a parallel configuration that can simultaneously probe an array of sensors or independently measure multiple parameters. To this end, we use multispatial-mode bright twin beams of light, which are characterized by independent quantum-correlated spatial subregions in addition to quantum temporal correlations, to probe a four-sensor quadrant plasmonic array. We show that it is possible to independently and simultaneously measure local changes in refractive index for all four sensors with a quantum enhancement in sensitivity in the range of 22% to 24% over the corresponding classical configuration. Finally, these results provide a first step toward highly parallel spatially resolved quantum-enhanced sensing techniques and pave the way toward more complex quantum sensing and quantum imaging platforms.

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

Spectroscopy of the T = 2 mirror nuclei 48 Fe/ 48 Ti using mirrored knockout reactions

A sequence of excited states has been established for the first time in the proton-rich nucleus 48 Fe (Z=26, N=22). The technique of mirrored (i.e. analogue) one-nucleon knockout reactions was applied, in which the T z = ±2 mirror pair, 48 Fe/ 48 Ti were populated via one-neutron/one-proton knockout from the secondary beams 49 Fe/ 49 V, respectively. The analogue properties of the reactions were used to help establish the new level scheme of 48 Fe. The inclusive and exclusive cross sections were determined for the populated states. Large differences between the cross sections for the two mirrored reactions were observed and have been interpreted in terms of different degrees of binding of the mirror nuclei and in the context of the recent observations of suppression of spectroscopic strength as a function of nuclear binding, for knockout reactions on light solid targets. Mirror energy differences (MED) have been determined between the analogue T = 2 states and compared with the shell model predictions. MED for this mirror pair, due to their location in the shell, are especially sensitive to excitations out of the f 7/2 shell, and present a stringent test of the shell-model prescription.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗