Improved Materials and Structures for Large Area X-ray Windows
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46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
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AOT & LANSCE Focus: Proton Radiography Facility
Invented at Los Alamos National Laboratory, proton radiography (pRad) at the Los Alamos Neutron Science Center (LANSCE) employs a high-energy proton beam to image the properties and behavior of materials under a variety of conditions. The penetrating power of high-energy protons, like that of x-rays, makes them an excellent probe of a wide range of materials under extreme pressures, strains, and strain rates. The invention of proton radiography is the direct result of the synergy between the Laboratory’s defense mission and basic science research scientists and supports the Laboratory’s national security science mission as well as provides for fundamental science discoveries. This new capability has revolutionized dynamic materials science at Los Alamos, providing a new window for the study of shock physics, materials damage, and high explosives science. The Proton Radiograpy Facility, a national user facility, has performed more than 500 dynamic experiments in support of the Weapons program, Global Security, and other customers since it was commissioned more than a decade ago. This information helps Los Alamos maintain the reliability of the U.S. nuclear stockpile. The pRad capability is primarily supported by the NNSA Science Campaigns.
36 MATERIALS SCIENCE↗
A Study of the Electrical Properties and Mineralogy of the Surface of Venus
This final report contains a listing of published papers and abstracts which address the electrical properties and minerology of the surface of Venus. The topics of these papers include: Subduction on the margins of coronae on Venus: Evidence from radiothermal emissivity measurements; The weathering process on Venus takes 2-3 hundred million years: Evidence from radiothermal emissivity signatures at coronae; SO2 and CH4 levels in the Venusian atmosphere, measured by Pioneer Venus: Caused by plinian-style volcanic activity at Maat Mons?; Magellan reveals Venus; Recent volcanic activity on Venus: Evidence from radiothermal emissivity signatures; Occurrences of low-emissivity surface material at low altitudes on Venus: A window to the past; Must the Venus surface material contain hematite?; Rock weathering on the surface of Venus; and Comment on "The Rate of Pyrite Decomposition on the Surface of Venus."
Wood, John A.↗
A Study of the Electrical Properties and Mineralogy of the Surface of Venus
This annual progress report is a list of papers on a study of the electrical properties and mineralogy of the surface of Venus. These papers were written by P. I. Wood and C. A. Robinson. Titles include: Subduction on the margins of coronae on Venus: Evidence from radiothermal emissivity measurements; The weathering process on Venus takes 2-3 hundred million years: Evidence from radiothermal emissivity signatures at coronae; SO2 and CH4 levels in the Venusian atmosphere, measured by Pioneer Venus: Caused by plinian-style volcanic activity at Maat Mons; Magellan reveals Venus; Recent volcanic activity on Venus: Evidence from radiothermal emissivity signatures; Occurrences of low-emissivity surface material at low altitudes on Venus: A window to the past; Must the Venus surface material contain hematite; Rock weathering on the surface of Venus; Comment on "The Rate of Pyrite Decomposition on the Surface of Venus-by J. A. Wood, and R. Brett; and Complex dielectric constants and magnetic permeabilities of mineral mixtures-by De Roo, R.D, C.A. Robinson, F.T. Ulaby, and J.A. Wood.
Wood, John A.↗
Advancing Materials Science using Neutrons at Oak Ridge National Laboratory
Jack Carpenter, pioneer of accelerator-based pulsed spallation neutron sources, talks about neutron science at Oak Ridge National Laboratory (ORNL) and a need for a second target station at the Spallation Neutron Source (SNS). ORNL is the Department of Energy's largest multiprogram science and energy laboratory, and is home to two scientific user facilities serving the neutron science research community: the High Flux Isotope Reactor (HFIR) and SNS. HFIR and SNS provide researchers with unmatched capabilities for understanding the structure and properties of materials, macromolecular and biological systems, and the fundamental physics of the neutron. Neutrons provide a window through which to view materials at a microscopic level that allow researchers to develop better materials and better products. Neutrons enable us to understand materials we use in everyday life. Carpenter explains the need for another station to produce long wavelength neutrons, or cold neutrons, to answer questions that are addressed only with cold neutrons. The second target station is optimized for that purpose. Modern technology depends more and more upon intimate atomic knowledge of materials, and neutrons are an ideal probe.
36 MATERIALS SCIENCE↗
Optical transparency of LiF (100) shock compressed to ∼360 GPa
High-purity [100] lithium fluoride (LiF) is the most widely used optical window in dynamic compression experiments due to its wide bandgap and well-characterized mechanical response. Recent plate-impact experiments established the [100] LiF Hugoniot to ∼230 GPa and demonstrated shock-induced melting onset at 182 GPa with complete melting by 195 GPa; theoretical models predict LiF optical transparency to nearly 900 GPa. To experimentally examine the optical transparency of [100] LiF at higher pressures and in the liquid state, laser-driven shock experiments were performed at peak stresses ranging from 223 to 363 GPa. Optical response was examined by measuring the particle velocity histories at the Kapton/LiF interface using laser interferometry at 532 and 1550 nm wavelengths; in-material particle velocities were obtained using established refractive-index corrections. Continuous photonic Doppler velocimetry fringes were observed across the entire stress range, demonstrating that LiF remains transparent to 1550 nm light throughout the multi-megabar regime investigated. At 532 nm, fringe visibility depended on the reflector coating: aluminum mirrors provided signals to ∼235 GPa, while gold mirrors extended this limit to 270.5 GPa, indicating that the shorter-wavelength response is likely sensitive to experimental configuration rather than to the loss of LiF transparency. Continued optical transparency to at least 360 GPa indicates that shock-melted LiF does not display bandgap closure over the stress range explored. Furthermore, these results provide direct experimental constraints on the high-pressure optical response and establish LiF (100) as a robust optical window material for laser-driven dynamic compression experiments approaching 400 GPa.
Renganathan, P. [Argonne National Laboratory (ANL)↗
Transient Kinetic Experiments within the High Conversion Domain: The Case of Ammonia Decomposition
In the development of catalytic materials, a set of standard conditions is needed where the kinetic performance of many samples can be compared. This can be challenging when a sample set covers a broad range of activity. Precise kinetic characterization requires uniformity in the gas and catalyst bed composition. This limits the range of convecting devices to low conversion (generally <20%). While steady-state kinetics offer a snapshot of conversion, yield and apparent rates of the slow reaction steps, transient techniques offer much greater detail of rate processes and hence more information as to why certain catalyst compositions offer better performance. In this work, transient experiments in two transport regimes are compared: an advecting differential plug flow reactor (PFR) and a pure-diffusion temporal analysis of products (TAP) reactor. The decomposition of ammonia was used as a model reaction to test three simple materials: polycrystalline iron, cobalt and a bimetallic preparation of the two. These materials presented a wide range of activity and it was not possible to capture transient information in the advecting device for all samples at the same conditions while ensuring uniformity. We push the boundary for the theoretical estimates of uniformity in the TAP device and find reliable kinetic measurement up to 90% conversion. However, what is more advantageous from this technique is the ability to observe the time-dependence of the reaction rate rather than just singular points of conversion and yield. For example, on the iron sample we observed reversible adsorption of ammonia and on cobalt materials we identify two routes for hydrogen production. From the time-dependence of reactants and product, the dynamic accumulation was calculated. This was used to understand the atomic distribution of H and N species regulated by the surface of different materials. When ammonia was pulsed at 550 °C, the surface hydrogen/nitrogen, (H/N), ratios that evolved for Fe, CoFe and Co were 2.4, 0.25 and 0.3 respectively. This indicates that iron will store a mixture of hydrogenated species while materials with cobalt will predominantly store NH and N. While much is already known about iron, cobalt and ammonia decomposition, the goal of this work was to demonstrate new tools for comparing materials over a wider window of conversion and with much greater kinetic detail. As a result, this provides an approach for detailed kinetic discrimination of more complex industrial samples beyond conversion and yield.
36 MATERIALS SCIENCE↗
Obtaining Large Columnar CdTe Grains and Long Lifetime on Nanocrystalline CdSe, MgZnO, or CdS Layers
CdTe solar cells have reached efficiencies comparable to multicrystalline silicon and produce electricity at costs competitive with traditional energy sources. Recent efficiency gains have come partly from shifting from the traditional CdS window layer to new materials such as CdSe and MgZnO, yet substantial headroom still exists to improve performance. Thin film technologies including Cu(In,Ga)Se2, perovskites, Cu2ZnSn(S,Se)4, and CdTe inherently have many grain boundaries that can form recombination centers and impede carrier transport; however, grain boundary engineering has been difficult and not practical. In this work, it is demonstrated that wide columnar grains reaching through the entire CdTe layer can be achieved by aggressive postdeposition CdTe recrystallization. This reduces the grain structure constraints imposed by nucleation on nanocrystalline window layers and enables diverse window layers to be selected for other properties critical for electro-optical applications. Computational simulations indicate that increasing grain size from 1 to 7 um can be equivalent to decreasing grain-boundary recombination velocity by three orders of magnitude. Here, large high-quality grains enable CdTe lifetimes exceeding 50 ns.
14 SOLAR ENERGY↗
SU-F-T-672: A Novel Kernel-Based Dose Engine for KeV Photon Beams
Purpose: Mimicking state-of-the-art patient radiotherapy with high precision irradiators for small animals allows advanced dose-effect studies and radiobiological investigations. One example is the implementation of pre-clinical IMRT-like irradiations, which requires the development of inverse planning for keV photon beams. As a first step, we present a novel kernel-based dose calculation engine for keV x-rays with explicit consideration of energy and material dependencies. Methods: We follow a superposition-convolution approach adapted to keV x-rays, based on previously published work on micro-beam therapy. In small animal radiotherapy, we assume local energy deposition at the photon interaction point, since the electron ranges in tissue are of the same order of magnitude as the voxel size. This allows us to use photon-only kernel sets generated by MC simulations, which are pre-calculated for six energy windows and ten base materials. We validate our stand-alone dose engine against Geant4 MC simulations for various beam configurations in water, slab phantoms with bone and lung inserts, and on a mouse CT with (0.275mm)3 voxels. Results: We observe good agreement for all cases. For field sizes of 1mm{sup 2} to 1cm{sup 2} in water, the depth dose curves agree within 1% (mean), with the largest deviations in the first voxel (4%) and at depths>5cm (<2.5%). The out-of-field doses at 1cm depth agree within 8% (mean) for all but the smallest field size. In slab geometries, the mean agreement was within 3%, with maximum deviations of 8% at water-bone interfaces. The γ-index (1mm/1%) passing rate for a single-field mouse irradiation is 71%. Conclusion: The presented dose engine yields an accurate representation of keV-photon doses suitable for inverse treatment planning for IMRT. It has the potential to become a significantly faster yet sufficiently accurate alternative to full MC simulations. Further investigations will focus on energy sampling as well as calculation times. Research at ICR is also supported by Cancer Research UK under Programme C33589/A19727 and NHS funding to the NIHR Biomedical Research Centre at RMH and ICR. MFF is supported by Cancer Research UK under Programme C33589/A19908.
43 PARTICLE ACCELERATORS↗
Navigating high-dimensional process-structure–property relations in nanocrystalline Pt-Au alloys with machine learning
For decades, materials scientists have relied on the process-structure–property paradigm to guide investigations into material behaviors. Traditional studies often examine a limited number of process-structure–property variables, striving to elucidate mechanisms governing material response. However, this approach is time consuming and can limit exploration, as well as the discovery of process-structure–property relations in novel materials. In this paper, we combined combinatorial sputter deposition and multi-modal high-throughput materials characterization with feedforward neural networks to establish high-dimensional process-structure–property relations in Pt-Au alloys, yielding nanocrystalline alloys with high hardness and low resistivity relevant to electrical contact switch applications. We mapped three indicators of process conditions (composition and two atomic deposition characteristics) onto four indicators of material structure (X-ray diffraction, film thickness, density, and surface roughness) and two indicators of material properties (hardness and resistivity), resulting in 784 unique combinations evaluated over a 13-dimensional space. The neural networks predicted Pt-Au alloys with 18–24 at.% Au, when deposited at specific conditions, to have a nanoindentation hardness up to 7.2 GPa. This high hardness value, comparable to some steels, represents a 3-fold improvement in hardness over “hard gold”, a commonly used electrical contact alloy, while maintaining requisite electrical conductivity. The neural network models provide an avenue to identify expected process windows capable of maximizing material performance.
Electrical contact materials↗
Degradation of Silica and Sapphire Windows at Elevated Temperatures
Silica and sapphire are very stable oxide materials. However, at high temperatures they are both susceptible to chemical degradation by three major mechanisms: (1) Deposition of fluxing oxides (2) Non-reactive vaporization (3) Reactive vaporization, particularly by water vapor. In order to model and predict each of these, accurate thermodynamic data and information on the environment are needed. Experimental and theoretical methods used at NASA for identifying the generated gas species and obtaining the relevant thermochemical data are discussed. Modeling and prediction of degradation are discussed for different environments and flow conditions. In addition, surface devitrification or etch pitting is likely under some conditions.
Mass spectrometry↗
Ultrawide Temperature Range Super-Invar Behavior of R 2 (Fe,Co) 17 Materials ( R = Rare Earth)
Super Invar (SIV), i.e., zero thermal expansion of metallic materials underpinned by magnetic ordering, is of great practical merit for a wide range of high precision engineering. However, the relatively narrow temperature window of SIV in most materials restricts its potential applications in many critical fields. Here, we demonstrate the controlled design of thermal expansion in a family of R 2 (Fe,Co) 17 materials (R=rare Earth). We find that adjusting the Fe-Co content tunes the thermal expansion behavior and its optimization leads to a record-wide SIV with good cyclic stability from 3–461 K, almost twice the range of currently known SIV. In situ neutron diffraction, Mössbauer spectra and first-principles calculations reveal the 3d bonding state transition of the Fe-sublattice favors extra lattice stress upon magnetic ordering. On the other hand, Co content induces a dramatic enhancement of the internal molecular field, which can be manipulated to achieve “ultrawide” SIV over broad temperature, composition and magnetic field windows. Furthermore, these findings pave the way for exploiting thermal-expansion-control engineering and related functional materials.
36 MATERIALS SCIENCE↗
Impact of Real-Time Image Gating on Spot Scanning Proton Therapy for Lung Tumors: A Simulation Study
Purpose: To investigate the effectiveness of real-time-image gated proton beam therapy for lung tumors and to establish a suitable size for the gating window (GW). Methods and Materials: A proton beam gated by a fiducial marker entering a preassigned GW (as monitored by 2 fluoroscopy units) was used with 7 lung cancer patients. Seven treatment plans were generated: real-time-image gated proton beam therapy with GW sizes of ±1, 2, 3, 4, 5, and 8 mm and free-breathing proton therapy. The prescribed dose was 70 Gy (relative biological effectiveness)/10 fractions to 99% of the target. Each of the 3-dimensional marker positions in the time series was associated with the appropriate 4-dimensional computed tomography phase. The 4-dimensional dose calculations were performed. The dose distribution in each respiratory phase was deformed into the end-exhale computed tomography image. The D99 and D5 to D95 of the clinical target volume scaled by the prescribed dose with criteria of D99 >95% and D5 to D95 <5%, V20 for the normal lung, and treatment times were evaluated. Results: Gating windows ≤ ±2 mm fulfilled the CTV criteria for all patients (whereas the criteria were not always met for GWs ≥ ±3 mm) and gave an average reduction in V20 of more than 17.2% relative to free-breathing proton therapy (whereas GWs ≥ ±4 mm resulted in similar or increased V20). The average (maximum) irradiation times were 384 seconds (818 seconds) for the ±1-mm GW, but less than 226 seconds (292 seconds) for the ±2-mm GW. The maximum increased considerably at ±1-mm GW. Conclusion: Real-time-image gated proton beam therapy with a GW of ±2 mm was demonstrated to be suitable, providing good dose distribution without greatly extending treatment time.
62 RADIOLOGY AND NUCLEAR MEDICINE↗
Resonant second harmonic generation in a gallium nitride two-dimensional photonic crystal on silicon
We demonstrate second harmonic generation in a gallium nitride photonic crystal cavity embedded in a two-dimensional free-standing photonic crystal platform on silicon. The photonic crystal nanocavity is optically pumped with a continuous-wave laser at telecom wavelengths in the transparency window of the nitride material. The harmonic generation is evidenced by the spectral range of the emitted signal, the quadratic power dependence vs. input power, and the spectral dependence of second harmonic signal. The harmonic emission pattern is correlated to the harmonic polarization generated by the second-order nonlinear susceptibilities χ{sub zxx}{sup (2)}, χ{sub zyy}{sup (2)} and the electric fields of the fundamental cavity mode.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Efficient and tunable blue light generation using lithium niobate nonlinear photonics
Thin-film lithium niobate (LN) has recently emerged as a playground for chip-scale nonlinear optics and leads to efficient frequency conversions from near-infrared to near-visible bands. For many nonlinear and quantum photonics applications, it is desirable to operate deep into the visible band within LN's transparency window. However, the strong material dispersion at short wavelengths makes phase-matching difficult, necessitating sub-micrometer scale control of domain structures for efficient phase-matching. Here, we report the operation of thin film LN in the blue wavelength and high fidelity poling of the thin-film LN waveguide to this regime. As a result, quasi-phase matching is realized between IR (871 nm) and blue (435.5 nm) wavelengths in a straight waveguide and prompts strong blue light generation with a conversion efficiency (1040% ± 140%/W). This blue second harmonic generator exhibits stable temperature tunability, which is important for applications that require precise frequency alignment, such as atomic clocks.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
High Throughput Source-less Plasma Deposition of Structured Silicon Anodes for Lithium-Ion Batteries
Amprius developed a manufacturing solution for silicon nanowire anode that relies on an inexpensive, high throughput, and high gas precursor utilization plasma deposition method that uses the anode foils as electrodes for plasma generation. The capacitively couple plasma (CCP) method is used in semiconductor and photovoltaic industry and Amprius modified existing high throughput equipment to use anode foils and to deposit amorphous silicon. The equipment was installed ahead of the program at Amprius site. The rest of the tasks included foil handling and process development. The equipment passed site acceptance tests (SAT) and the process parameter mapping was completed, indicating that the target process window limits produce output materials at the rate and with yield and specifications that meet the manufacturing target criteria. Amprius has hired supporting personnel to optimize processes and run the equipment. A parallel task verified the baseline performance of the silicon anode material, to be used as reference for the new manufacturing method.
25 ENERGY STORAGE↗
Broadband microwave waveguide window Patent
Broadband microwave waveguide window to compensate dielectric material filling
Mullen, D. L.↗
Design of toroidal transformers for maximum efficiency
The design of the most efficient toroidal transformer that can be built given the frequency, volt-ampere rating, magnetic flux density, window fill factor, and materials is described. With the above all held constant and only the dimensions of the magnetic core varied, the most efficient design occurs when the copper losses equal 60 percent of the iron losses. When this criterion is followed, efficiency is only slightly dependent on design frequency and fill factor. The ratios of inside diameter to outside diameter and height to build of the magnetic core that result in transformers of maximum efficiency are computed.
Dayton, J. A., Jr.↗