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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Large aperture deformable mirror with a transferred single-crystal silicon membrane actuated using large-stroke PZT Unimorph Actuators

We have demonstrated a large aperture (50 mm x 50 mm) continuous membrane deformable mirror (DM) with a large-stroke piezoelectric unimorph actuator array. The DM consists of a continuous, large aperture, silicon membrane 'transferred' in its entirety onto a 20 x 20 piezoelectric unimorph actuator array. A PZT unimorph actuator, 2.5 mm in diameter with optimized PZT/Si thickness and design showed a deflection of 5.7 [m at 20V. An assembled DM showed an operating frequency bandwidth of 30 kHz and influence function of approximately 30%.

unimorph↗
DOE OSTI2025

Improved high-resolution mapping of phase-matching conditions in second-order nonlinear crystals via imaging

Large-aperture nonlinear crystals for frequency conversion and parametric amplification exhibit spatial variations in phase-matching conditions, which affect the performance of high-power laser systems. We demonstrate significant improvements in speed and resolution to a technique that spatially maps these phase-matching conditions using imaging of the beam resulting from detuned second-harmonic generation. The phase-matching conditions at the pyramidal sector boundary of partially deuterated potassium dihydrogen phosphate (DKDP) are mapped with sub-0.1-mm resolution. We examine the effect of further increases in scan rate on the precision of the technique and demonstrate a scan rate of 0.8 cm 2 per minute at the aforementioned resolution.

Wampler, R. [Univ. of Rochester, NY (United States↗
DOE OSTI2023

Shear-aligned large-area organic semiconductor crystals through extended π–π interaction

Small molecule-based organic semiconductors are of broad interest in organic field-effect transistors (OFETs) due to their potential for high crystallinity and electrical performance. The 2D molecule, TIPS-peri-pentacenopentacene (TIPS-PPP), which is the vertical extension of the 1D TIPS-pentacene (TIPS-PEN) molecule, offers a lower bandgap, higher aromaticity, and an enhanced π–π interaction with neighboring molecules in the solid state when compared to TIPS-PEN. However, an in-depth understanding of the relationship between the molecule structure, solid-state molecular packing, and the electronic properties has not been reported due to poor control over the TIPS-PPP crystallite size. In this work, we successfully engineered highly oriented large-area TIPS-PPP crystals through the solution shear coating technique. Additionally, compared with narrow ribbon-like TIPS-PEN crystals, TIPS-PPP crystals can grow centimeters long and over 500 μm wide. TIPS-PPP molecules are less susceptible to forming metastable polymorphs than TIPS-PEN molecules upon fast evaporation. The crystal structure of TIPS-PPP is also thermally stable at 250 °C. Notably, the anisotropic charge carrier mobility of TIPS-PPP crystals is resolved through fabricating bottom-gate top-contact devices, with a hole mobility of 3.1 cm 2 V -1 s -1 along the preferred packing direction. Further device optimization using top-gate bottom-contact devices improved the mobility up to 6.5 cm 2 V -1 s -1 , which is among the highest for pentacene-derivative-based organic semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Zeolite crystal growth in space

The growth of large, uniform zeolite crystals in high yield in space can have a major impact on the chemical process industry. Large zeolite crystals will be used to improve basic understanding of adsorption and catalytic mechanisms, and to make zeolite membranes. To grow large zeolites in microgravity, it is necessary to control the nucleation event and fluid motion, and to enhance nutrient transfer. Data is presented that suggests nucleation can be controlled using chemical compounds (e.g., Triethanolamine, for zeolite A), while not adversely effecting growth rate. A three-zone furnace has been designed to perform multiple syntheses concurrently. The operating range of the furnace is 295 K to 473 K. Teflon-lined autoclaves (10 ml liquid volume) have been designed to minimize contamination, reduce wall nucleation, and control mixing of pre-gel solutions on orbit. Zeolite synthesis experiments will be performed on USML-1 in 1992.

Sacco, Albert, Jr.↗
NASA NTRS2002

Maximizing Macromolecule Crystal Size for Neutron Diffraction Experiments

A challenge in neutron diffraction experiments is growing large (greater than 1 cu mm) macromolecule crystals. In taking up this challenge we have used statistical experiment design techniques to quickly identify crystallization conditions under which the largest crystals grow. These techniques provide the maximum information for minimal experimental effort, allowing optimal screening of crystallization variables in a simple experimental matrix, using the minimum amount of sample. Analysis of the results quickly tells the investigator what conditions are the most important for the crystallization. These can then be used to maximize the crystallization results in terms of reducing crystal numbers and providing large crystals of suitable habit. We have used these techniques to grow large crystals of Glucose isomerase. Glucose isomerase is an industrial enzyme used extensively in the food industry for the conversion of glucose to fructose. The aim of this study is the elucidation of the enzymatic mechanism at the molecular level. The accurate determination of hydrogen positions, which is critical for this, is a requirement that neutron diffraction is uniquely suited for. Preliminary neutron diffraction experiments with these crystals conducted at the Institute Laue-Langevin (Grenoble, France) reveal diffraction to beyond 2.5 angstrom. Macromolecular crystal growth is a process involving many parameters, and statistical experimental design is naturally suited to this field. These techniques are sample independent and provide an experimental strategy to maximize crystal volume and habit for neutron diffraction studies.

Judge, R. A.↗
DOE OSTI2014

Novel ferroelectric single crystals of Bi(Zn{sub 1/2}Ti{sub 1/2})O{sub 3}-PbZrO{sub 3}-PbTiO{sub 3} ternary solid solution

Ferroelectric single crystals of a new lead-reduced Bi(Zn{sub 1/2}Ti{sub 1/2})O{sub 3}-PbZrO{sub 3}-PbTiO{sub 3} (BZT-PZ-PT) ternary solid solution system have been grown for the first time by three different methods, namely high temperature solution growth (HTSG, or flux method), top-cooled solution growth (TCSG), and top-seeded solution growth (TSSG). The chemical and thermodynamic parameters, including the flux concentration, the soaking temperature and the cooling rate, have been optimized, leading to the growth of good quality BZT-PZ-PT crystals of pseudo-cubic morphology. A large size crystal of the dimensions of 2 × 2 × 0.5 cm{sup 3} has been obtained by the TSSG technique. The crystal structure is analyzed by means of X-ray powder diffraction. The highest ferroelectric Curie temperature T{sub C} of the grown crystals is found to be 320 °C by means of dielectric measurements. A remnant polarization of 32 μC/cm{sup 2} is displayed with a coercive field of 15.4 kV/cm. The high T{sub C} and large coercive field of the BZT-PZ-PT single crystal make this material a promising candidate for applications in high power electromechanical transducers that can operate in a wider temperature range and at high fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Response to “Comment on ‘Twin symmetry texture of energetically condensed niobium thin films on sapphire substrate’ ” [J. Appl. Phys. 112, 016101 (2012)]

Welander is correct about the misidentified crystal-directions in the top-view sapphire lattice (Fig. 4 [Zhao et al., J. Appl. Phys. 110, 033523 (2011)]). He is also correct about the misorientation of the pole figures in Fig. 4. In Fig. 1 of this response, we have corrected these errors. Perhaps because of these errors, Welander misconstrued our discussion of the Nbcrystal growth as claiming a new 3D registry. That was not our intention. Rather, we wished to highlight the role of energetic condensation that drives low-defect crystal growth by a combination of non-equilibrium sub-plantation that disturbs the substrate lattice and thermal annealing that annihilates defects and promotes large-grain crystal growth.

Zhao, X.↗
DOE OSTI2016

Extremely large and significantly anisotropic magnetoresistance in ZrSiS single crystals

Recently, the extremely large magnetoresistance (MR) observed in transition metal telluride, like WTe{sub 2}, attracted much attention because of the potential applications in magnetic sensor. Here, we report the observation of extremely large magnetoresistance as 3.0 × 10{sup 4}% measured at 2 K and 9 T magnetic field aligned along [001]-ZrSiS. The significant magnetoresistance change (∼1.4 × 10{sup 4}%) can be obtained when the magnetic field is titled from [001] to [011]-ZrSiS. These abnormal magnetoresistance behaviors in ZrSiS can be understood by electron-hole compensation and the open orbital of Fermi surface. Because of these superior MR properties, ZrSiS may be used in the magnetic sensors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Strategies for sample delivery for femtosecond crystallography

Highly efficient data-collection methods are required for successful macromolecular crystallography (MX) experiments at X-ray free-electron lasers (XFELs). XFEL beamtime is scarce, and the high peak brightness of each XFEL pulse destroys the exposed crystal volume. It is therefore necessary to combine diffraction images from a large number of crystals (hundreds to hundreds of thousands) to obtain a final data set, bringing about sample-refreshment challenges that have previously been unknown to the MX synchrotron community. In view of this experimental complexity, a number of sample delivery methods have emerged, each with specific requirements, drawbacks and advantages. To provide useful selection criteria for future experiments, this review summarizes the currently available sample delivery methods, emphasising the basic principles and the specific sample requirements. Two main approaches to sample delivery are first covered: (i) injector methods with liquid or viscous media and (ii) fixed-target methods using large crystals or using microcrystals inside multi-crystal holders or chips. Additionally, hybrid methods such as acoustic droplet ejection and crystal extraction are covered, which combine the advantages of both fixed-target and injector approaches.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Rapid, all-optical crystal orientation imaging of two-dimensional transition metal dichalcogenide monolayers

Two-dimensional (2D) atomic materials such as graphene and transition metal dichalcogenides (TMDCs) have attracted significant research and industrial interest for their electronic, optical, mechanical, and thermal properties. While large-area crystal growth techniques such as chemical vapor deposition have been demonstrated, the presence of grain boundaries and orientation of grains arising in such growths substantially affect the physical properties of the materials. There is currently no scalable characterization method for determining these boundaries and orientations over a large sample area. We here present a second-harmonic generation based microscopy technique for rapidly mapping grain orientations and boundaries of 2D TMDCs. We experimentally demonstrate the capability to map large samples to an angular resolution of ±1° with minimal sample preparation and without involved analysis. A direct comparison of the all-optical grain orientation maps against results obtained by diffraction-filtered dark-field transmission electron microscopy plus selected-area electron diffraction on identical TMDC samples is provided. This rapid and accurate tool should enable large-area characterization of TMDC samples for expedited studies of grain boundary effects and the efficient characterization of industrial-scale production techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structure–property relations of orthorhombic [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}·2H{sub 2}O

Large single crystals of orthorhombic [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}·2H{sub 2}O with dimensions up to 40×40×30 mm{sup 3} were grown from aqueous solutions. The elastic and piezoelastic coefficients were derived from ultrasonic resonance frequencies and their shifts upon variation of pressure, respectively, using the plate-resonance technique. Additionally, the coefficients of thermal expansion were determined between 95 K and 305 K by dilatometry. The elastic behaviour at ambient conditions is dominated by the 2-dimensional network of strong hydrogen bonds within the (001) plane leading to a corresponding pseudo-tetragonal anisotropy of the longitudinal elastic stiffness. The variation of elastic properties with pressure, however, as well as the thermal expansion shows strong deviations from the pseudo-tetragonal symmetry. These deviations are probably correlated with tilts of the elongated tri-nuclear betaine–CuCl{sub 2}–water complexes. Neither the thermal expansion nor the specific heat capacity gives any hint on a phase transition in the investigated temperature range. - Graphical abstract: Single crystal of orthorhombic [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}·2H{sub 2}O. - Highlights: • Large single crystals (40 ×40 ×30 mm{sup 3}) of [(CH{sub 3}){sub 3}NCH{sub 2}COO]{sub 2}(CuCl{sub 2}){sub 3}·2H{sub 2}O were grown. • The elastic and piezoelastic coefficients were derived from ultrasonic resonance frequencies. • Thermal expansion (95 K–305 K) and heat capacity (113 K–323 K) were determined. • The orthorhombic structure shows pseudo-tetragonal elastic anisotropy at ambient conditions. • The crystal structure is stable in the investigated range (1–1600 bar, 95–303 K)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Membrane protein megahertz crystallography at the European XFEL

The world’s first superconducting megahertz repetition rate hard X-ray free-electron laser (XFEL), the European XFEL, began operation in 2017, featuring a unique pulse train structure with 886 ns between pulses. With its rapid pulse rate, the European XFEL may alleviate some of the increasing demand for XFEL beamtime, particularly for membrane protein serial femtosecond crystallography (SFX), leveraging orders-of-magnitude faster data collection. Here, we report the first membrane protein megahertz SFX experiment, where we determined a 2.9 Å-resolution SFX structure of the large membrane protein complex, Photosystem I, a > 1 MDa complex containing 36 protein subunits and 381 cofactors. We address challenges to megahertz SFX for membrane protein complexes, including growth of large quantities of crystals and the large molecular and unit cell size that influence data collection and analysis. The results imply that megahertz crystallography could have an important impact on structure determination of large protein complexes with XFELs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Co-flow injection for serial crystallography at X-ray free-electron lasers

Serial femtosecond crystallography (SFX) is a powerful technique that exploits X-ray free-electron lasers to determine the structure of macromolecules at room temperature. Despite the impressive exposition of structural details with this novel crystallographic approach, the methods currently available to introduce crystals into the path of the X-ray beam sometimes exhibit serious drawbacks. Samples requiring liquid injection of crystal slurries consume large quantities of crystals (at times up to a gram of protein per data set), may not be compatible with vacuum configurations on beamlines or provide a high background due to additional sheathing liquids present during the injection. Proposed and characterized here is the use of an immiscible inert oil phase to supplement the flow of sample in a hybrid microfluidic 3D-printed co-flow device. Co-flow generation is reported with sample and oil phases flowing in parallel, resulting in stable injection conditions for two different resin materials experimentally. A numerical model is presented that adequately predicts these flow-rate conditions. The co-flow generating devices reduce crystal clogging effects, have the potential to conserve protein crystal samples up to 95% and will allow degradation-free light-induced time-resolved SFX.

3D printing↗
DOE OSTI2015

My Spring with Graphene

Graphene is a two-dimensional structure, one atom thick, with many uses in the world of technology. It has many useful electrical properties, is a very strong and durable material, and can be used to protect different types of substances. The world would be able to use these properties to further the strength of cars, protect metals from oxidation, increase computer speeds, use to improve superconductors, and whatever future uses that scientist invent or discover. We sought to optimize the growth and transfer of graphene. We grew graphene on copper foils by heating the foil in a furnace, and having various gases flow through a tube, where the copper foil was placed. We varied some of the concentrations of gases, along with having different times for heating the copper foil, different times for graphene growth, or a combination of the two. The focus of our experiment was to specifically grow monolayer single crystal graphene, which means that we do not want multiplayers of graphene, and do not want multiple crystals growing to form a bigger crystal. Our goal was to grow large single crystals from the growth experiment. We used a few different types of transfer methods that ranged from: using heat and pressure to press the graphene on different materials, using a polymer to cover the graphene with a method to destroy the copper, but leave the graphene and polymer intact, and using a type of heat tape with a combination of varying pressures to transfer the graphene, and then destroy the copper foil. To discover if we grew graphene we used different techniques involving lasers and microscopes to take different types of measurements. Discovering the best way of growing and transferring graphene will help with managing the cost of the future uses of graphene.

36 MATERIALS SCIENCE↗
NASA NTRS1990

The effects of small ice crystals on the infrared radiative properties of cirrus clouds

The effects of nonspherical small ice crystals on the IR radiative properties of cirrus clouds are investigated utilizing light scattering properties of spheroidal particles. Employing the anomalous diffraction theory for spheres and results from the exact spheroid scattering program, efficient parameterization equations are developed for calculations of the absorption and scattering properties for small ice crystals. Parameterization formulas are developed for large ice crystals employing results computed from the geometric ray-tracing method and the Fraunhofer diffraction theory for hexagonal crystals and spheroids.

Takano, Y.↗
NASA NTRS2006

Mineralogy of nakhlite Martian meteorites: Implications for their relative burial depths

Nakhlites are Martian cumulate rocks mainly composed of augite with variable amounts of olivine and groundmass (mesostasis). Currently seven samples are known: Nakhla (Nak), Governador Valadares (GV), Lafayette (Laf), NWA817, Y000593 (Y), NWA998 and MIL03346 (MIL). All the nakhlites show a similar unbrecciated cumulate texture, and their identical crystallization and exposure ages suggest that they originated from the same igneous body on Mars and were ejected by the same impact event. It is important to study difference of their mineralogy to reconstruct the igneous body from which nakhlites originated. Augite grains in all nakhlites have a nearly identical core composition (En39Fs22Wo39) and have thin Fe-rich rims. These Fe-rich rims are zoned to Ca-poor pyroxene compositions and the degree of chemical zoning varies from one sample to another. NWA998 has the most Mg-rich edge composition. The edge composition becomes more Fe-rich in the order of Laf, Nak/GV, Y and NWA817. Unlike other samples, the Fe-rich edge of MIL augite is zoned to the hedenbergite composition. Olivine grains in all samples except Laf and NWA998 show extensive chemical zoning whose degree is clearly related to the chemical zoning of pyroxenes. MIL and NWA817 have the widest compositional ranges (Fa54-93). Y has a slightly narrower compositional range of Fa58-85. Nak and GV have even narrower ranges (Fa58-72). In contrast to these samples, olivines in Laf and NWA998 are homogeneous (Fa66-67 and Fa61-62, respectively). Such chemical zoning (Fa and Ca) can be used to quantitatively estimate their cooling rates (burial depths) because it was clearly formed by interaction with the intercumulus melt. The obtained burial depths are 1-2 m for NWA817, 4 m for MIL, 7 m for Y, approx.10 m for Nak and GV, and >30 m for Laf and NWA998. This order is clearly related to the degree of pyroxene chemical zoning. The abundance and mineralogy of nakhlite groundmass are also consistent with this order. In Nak, GV and Laf, the groundmass abundance is about 7-8%. Y and NWA998 have a slightly higher abundance (10%), while NWA817 and MIL have much higher abundance (20-24%). The groundmass texture is also related to its abundance. The groundmass of Nak, GV, Laf and Y is mainly composed of feldspar laths. In contrast, NWA817 and MIL have glassy mesostasis without feldspar crystals. In NWA998, feldspar is a large blocky crystal with clear twinning, suggesting that it is even deeper than Laf.

Mikouchi, T.↗
NASA NTRS2002

Methods for growth of relatively large step-free SiC crystal surfaces

A method for growing arrays of large-area device-size films of step-free (i.e., atomically flat) SiC surfaces for semiconductor electronic device applications is disclosed. This method utilizes a lateral growth process that better overcomes the effect of extended defects in the seed crystal substrate that limited the obtainable step-free area achievable by prior art processes. The step-free SiC surface is particularly suited for the heteroepitaxial growth of 3C (cubic) SiC, AlN, and GaN films used for the fabrication of both surface-sensitive devices (i.e., surface channel field effect transistors such as HEMT's and MOSFET's) as well as high-electric field devices (pn diodes and other solid-state power switching devices) that are sensitive to extended crystal defects.

Neudeck, Philip G.↗
DOE OSTI2017

Materials Research with X-ray Micro-beams at the Advanced Photon Source

X-ray scattering has had a rich and prominent place in the history of materials research. For samples that are large single crystals, X-ray diffraction provides very detailed, high-quality information about the atomic structure of almost every kind. However, most engineering materials are not a large single crystal, but mixtures of materials or a poly-crystalline material. Still, X-ray diffraction using X-ray beams significantly larger than the structures being investigated has produced much excellent information. Examples of this are powder diffraction, texture analysis, strain analysis, etc. While these types of analyses have been very useful in providing a microscopic understanding, they do not provide the microscopic information that we really want. What we really want to have is this useful X-ray diffraction information for every volume element in our sample; not just the diffraction information about small volume elements, but all of the volume elements, exactly where they are in our sample, and how each one diffracts. Furthermore this detailed spatial and structural information is what is needed for a full understanding of the source of the properties that we find in engineering materials.

36 MATERIALS SCIENCE↗