Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Solid Works”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Nanoshell quantum dots: Quantum confinement beyond the exciton Bohr radius

Nanoshell quantum dots (QDs) represent a novel class of colloidal semiconductor nanocrystals (NCs), which supports tunable optoelectronic properties over the extended range of particle sizes. Traditionally, the ability to control the bandgap of colloidal semiconductor NCs is limited to small-size nanostructures, where photoinduced charges are confined by Coulomb interactions. A notorious drawback of such a restricted size range concerns the fact that assemblies of smaller nanoparticles tend to exhibit a greater density of interfacial and surface defects. This presents a potential problem for device applications of semiconductor NCs where the charge transport across nanoparticle films is important, as in the case of solar cells, field-effect transistors, and photoelectrochemical devices. Furthermore, the morphology of nanoshell QDs addresses this issue by enabling the quantum-confinement in the shell layer, where two-dimensional excitons can exist, regardless of the total particle size. Such a geometry exhibits one of the lowest surface-to-volume ratios among existing QD architectures and, therefore, could potentially lead to improved charge-transport and multi-exciton characteristics. The expected benefits of the nanoshell architecture were recently demonstrated by a number of reports on the CdS bulk /CdSe nanoshell model system, showing an improved photoconductivity of solids and increased lifetime of multi-exciton populations. Along these lines, this perspective will summarize the recent work on CdS bulk /CdSe nanoshell colloids and discuss the possibility of employing other nanoshell semiconductor combinations in light-harvesting and lasing applications.

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

Photophysical properties of zero-dimensional perovskites studied by PBE0 and GW+BSE methods

Due to the exceptional photophysical properties and great potential applications in solid state lighting, zero-dimensional halide perovskites with broadband emitting have recently attracted much attention. In this work, to reveal the origin of the broadband absorption and emission spectra of 0D (C 4 N 2 H 14 Br) 4 SnBr x I 6-x (x = 3), the ground state and exciton dynamics properties have been studied by hybrid PBE0 functional and the GW+BSE method. Different self-trapped excitons (STEs) are obtained, and their emission energies by PBE0 are consistent well with experimental data. By considering the vibrational broadening of emission, our calculated full width at half maximum of emission accords well with the experiment. The absorption of free exciton and STEs is also calculated by considering the quasiparticle and excitonic effect. Our results show that these light-induced trapped states can be observed by experiments, as confirmed in other similar systems by the femtosecond transient absorption spectra.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Ab initio investigation of elastic properties of dilute Cu alloys for high-gradient accelerating structures

The elastic properties and solid solution strengthening of several Cu alloys that may be promising for high gradient applications were studied using ab initio calculations based on density functional theory. Specifically, the temperature and solute concentration dependence of elastic properties including bulk and shear moduli, thermal expansion coefficient, and heat capacity of these alloys were calculated. We found that the bulk and shear moduli are linearly dependent on the solute concentration in the dilute regime and change significantly for different Cu alloys. The thermal expansion coefficient and heat capacity are comparatively less sensitive to solute concentrations. Solid solution strengthening is observed to be linearly correlated with the change of lattice parameter of Cu. This work provides an in-depth understanding of the elastic properties of Cu alloys, which is key for predicting their performance at high gradient in normal conducting accelerating structures.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Dose-rate controlled energy dispersive x-ray spectroscopic mapping of the metallic components in a biohybrid nanosystem

In this work, we showcase that through precise control of the electron dose rate, state-of-the-art large solid angle energy dispersive X-ray spectroscopy (EDS) mapping in aberration-corrected scanning transmission electron microscope (STEM) is capable of faithful and unambiguous chemical characterization of the Pt and Pd distribution in a peptide-mediated nanosystem. This low-dose-rate recording scheme adds another dimension of flexibility to the design of elemental mapping experiments, and holds significant potential for extending its application to a wide variety of beam sensitive hybrid nanostructures.

composition mapping↗
DOE OSTI2020

Glide-resolved photoemission spectroscopy: Measuring topological invariants in nonsymmorphic space groups

The two classes of 3D, time-reversal-invariant insulators are known to subdivide into four classes in the presence of glide symmetry. Here, we extend this classification of insulators to include glide-symmetric Weyl metals and find a finer $\mathbb{Z}_4 ⊕\mathbb {Z}$ classification. We further elucidate the smoking-gun experimental signature of each class in the photoemission spectroscopy of surface states. Measuring the $\mathbb{Z}_4$ topological invariant by photoemission relies on identifying the glide representation of the initial Bloch state before photoexcitation—we show how this is accomplished with relativistic selection rules, combined with standard spectroscopic techniques to resolve both momentum and spin. In this work, our method relies on a spin-momentum locking that is characteristic of all glide-symmetric solids (inclusive of insulators and metals in trivial and topological categories). As an orthogonal application, given a glide-symmetric solid with an ideally symmetric surface, we may utilize this spin-momentum locking to generate a source of fully spin-polarized photoelectrons, which have diverse applications in solid-state spectroscopy. Our ab initio calculations predict Ba 2 Pb, stressed Na 3 Bi, and KHgSb to realize all three, nontrivial insulating phases in the $\mathbb{Z}_4$ classification.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Fluid-driven fractures in granular media: Insights from numerical investigations

We investigate the mechanisms of opening-mode fracture initiation in granular media. The study is based on a simulation of grain-scale fluid-grain interactions through a coupled numerical approach in which the discrete element method is used to solve for the mechanics of a solid granular medium, and computational fluid dynamics is used to model fluid flow and drag forces. In this work, we present benchmark problems with analytical solutions and validate this numerical model against experiments on a viscous-drag-driven cavity in the literature. Additional simulation results show fracture initiation mechanisms in a random granular packing subjected to constant boundary stresses and to fluid injection with a localized source. The dimensionless variable $F_s/F_{sk}$ (ratio of seepage force $F_s$ and skeletal force $F_{sk}$) incorporates the impacts of physical properties and injection parameters including fluid viscosity, injection velocity, grain size, and effective stresses, and it has been used as a criterion separating regimes of fluid invasion and drag-driven fracture opening. Our simulation results show that $F_s/F_{sk}$ in combination with $τ_1$ (ratio of diffusion time from hydromechanical coupling and injection time) serves as a prediction of fracture opening within granular packing. We suggest a simple criterion ($F_s/F_{sk}$ > 1 or $τ_1$ > 0.17) that is valid for various types of granular media and injection conditions to determine if fracture opening will occur. Among other applications, this study is useful to predict the initiation and propagation of fractures in natural sediments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

MO-AB-BRA-07: Low Dose Imaging with Avalanche Amorphous Selenium Flat Panel Imager

Purpose: We present the first active matrix flat panel imager (AMFPI) capable of producing x-ray quantum noise limited images at low doses by overcoming the electronic noise through signal amplification by photoconductive avalanche gain (gav). The indirect detector fabricated uses an optical sensing layer of amorphous selenium (a-Se) known as High-Gain Avalanche Rushing Photoconductor (HARP). The detector design is called Scintillator HARP (SHARP)-AMFPI. This is the first image sensor to utilize solid-state HARP technology. Methods: The detector’s electronic readout is a 24 × 30 cm{sup 2} array of thin film transistors (TFT) with a pixel pitch of 85 µm. The HARP structure consists of a 15 µm layer of a-Se isolated from the high voltage (HV) and signal electrode by a 2 µm thick hole blocking layer and electron blocking layer, respectively, to reduce dark current. A 150 µm thick structured CsI scintillator with reflective backing and a fiber optic faceplate (FOP) was coupled to the semi-transparent HV bias electrode of the HARP structure. Images were acquired using a 30 kVp Mo/Mo spectrum typically used in mammography. Results: Optical sensitivity measurements demonstrate that gav = 76 ± 5 can be achieved over the entire active area of the detector. At a constant dose to the detector of 6.67 µGy, image quality increases with gav until the effective electronic noise is negligible. Quantum noise limited images can be obtained with doses as low as 0.18 µGy. Conclusion: We demonstrate the feasibility of utilizing avalanche gain to overcome electronic noise. The indirect detector fabricated is the first solid-state imaging sensor to use HARP, and the largest active area HARP sensor to date. Our future work is to improve charge transport within the HARP structure and utilize a transparent HV electrode.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Computational and Experimental Investigations of the Molecular Scale Structure and Dynamics of Gologically Important Fluids and Mineral-Fluid Interfaces

United States Department of Energy grant DE-FG02-10ER16128, “Computational and Spectroscopic Investigations of the Molecular Scale Structure and Dynamics of Geologically Important Fluids and Mineral-Fluid Interfaces” (Geoffrey M. Bowers, P.I.) focused on developing a molecular-scale understanding of processes that occur in fluids and at solid-fluid interfaces using the combination of spectroscopic, microscopic, and diffraction studies with molecular dynamics computer modeling. The work is intimately tied to the twin proposal at Michigan State University (DOE DE-FG02-08ER15929; same title: R. James Kirkpatrick, P.I. and A. Ozgur Yazaydin, co-P.I.).

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

Mercury Speciation and Quantification of Hanford 241-AP-107 Tank Waste Feed and Treated Samples

This report describes the second phase of a multi year project to adapt and develop an analytical technique for the low-level determination of total mercury (HgT), elemental mercury (Hg0), and monomethyl mercury (MeHg, hereafter referred to as methyl mercury) in Hanford tank waste. The focus of Phase II was to quantify the mercury (Hg) species total, elemental, and methyl mercury from a raw sample and treated (i.e., filtered and cesium-decontaminated) waste samples originating from Hanford waste tank 241-AP 107. The focus of Phase I work was to determine if mercury species can be preconcentrated from aqueous Hanford tank waste solution onto a solid adsorbent while simultaneously eliminating or very significantly reducing the parent radionuclide activity. This was demonstrated by developing protocols for the preparation, separation, and collection of total mercury and methyl mercury onto solid adsorbents, then measuring the adsorbents for radiological content at Pacific Northwest National Laboratory’s (PNNL’s) Radiochemical Processing Laboratory (RPL) on the Hanford Site. During Phase II, the Hanford tank waste material was preserved, separated (through distillation or digestion), then collected as either solid adsorbents or into liquid distillate form at the RPL and transferred to the PNNL Marine Sciences Laboratory (MSL) in Sequim, Washington, for analysis and quantification. Quantification of total, elemental, and methyl mercury was conducted under radiological control at the MSL using the ultra trace analytical capabilities available there.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Degradation & Performance Studies of ALD-Stabilized Nano-Composite SOFC Cathodes

This work showed, definitively, for the first time, that zirconia Atomic Layer Deposited (ALD) overcoats improve the stability of Solid Oxide Fuel Cell (SOFC) cathodes by chemically gettering interfacial Sr that has segregated out of lanthanum strontium cobalt iron oxide (LSCF). The optimum ALD ZrO 2 overcoat thickness was found to be ≥5 nm and <10 nm. Gadolinium doped ceria (GDC) pre-infiltration was also shown, for the first time, to improve SOFC cathode stability through the chemical getting of Sr at the LSCF-backbone and LSCF-gas interfaces. Due to the fact that it can be performed easily in air on large-area electrodes, GDC pre-infiltration is likely more commercially viable than ALD ZrO 2 overcoating as an interfacial Sr gettering technique. Combining ZrO 2 overcoating with GDC pre-infiltration was not successful because the GDC nano-particles gettered the ZrO 2 overcoat instead of the interfacial Sr.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2017

Validating Hydrogen Concentrations Ahead of Crack Tips

Current models for hydrogen embrittlement rely on adjustable parameters to correct for uncertainties in crack tip stress fields and subsequent H 2 -concentrations. Techniques are needed to quantify these concentrations ahead of crack tips in mechanically loaded materials, providing data for model calibration and validation. The goal of this work was to establish advanced analytical techniques to detect and quantitatively measure hydrogen ahead of cracks in stressed solids. Two advanced analytical techniques, kelvin probe force microscopy (KPFM) and nuclear reaction analysis (NRA), were explored to evaluate the feasibility to provide qualitative and quantitative H 2 -concentration fields in geometries designed to be 'loaded' while under observation. The feasibility of the KPFM technique at detecting hydrogen was evaluated using electrochemically precharged hydrogen as well as a mixed hydrogen gas atmosphere. The KPFM technique was able to detect the presence of elevated stress and hydrogen concentrations ahead of a tensile loaded crack tip. The results suggest that KPFM is a viable technique for qualitatively imaging changes in stress and hydrogen concentrations on the scale needed to inform predictive models. KPFM could be used to provide local stress and hydrogen variations associated with hydrogen traps or different phases which require sensitive measurements on the micron scale. NRA provided quantitative measurements of the hydrogen-isotope deuterium ahead of a tensile loaded notch, however, the vacancy formation due to the incident high energy He 3 beam overwhelmed stress-assisted enhancement of deuterium concentrations such that the effect of stress was overshadowed in this analysis. Modeling of the chemo- mechanical hydrogen concentration change was used to verify this observation.

08 HYDROGEN↗
DOE OSTI2022

Cubit for MCNP Unstructured Mesh Analysis of Oktavian Benchmarks

The Monte Carlo N-Particle (MCNP) transport code developed by Los Alamos National Laboratory (LANL) can be used to transport various particles across user defined three dimensional (3D) geometries. Traditionally, these geometries are created as constructive solid geometry (CSG), involving the use of Boolean operators on defined surfaces to create 3D regions known as cells. A newer method of geometry definition in the MCNP code is unstructured mesh (UM) embedded within a CSG cell using the universe and fill repeated-structure features. An MCNP UM calculation requires an MCNP input file and mesh geometry file. The MCNP code cannot be used to generate UM geometry models. A computer-aided design (CAD) software is typically used to construct a solid geometry model, and a CAD file is then imported into a mesh generation software to prepare and generate a mesh model. Some mesh generation software packages have the ability to create a solid geometry and thus a separate CAD software for creating a CAD model is not needed. In this work, Cubit, a geometry creation and meshing software developed by Sandia National Laboratories, is used to construct UM models for MCNP simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

High-throughput combinatorial approach expedites the synthesis of a lead-free relaxor ferroelectric system

Developing novel lead-free ferroelectric materials is crucial for next-generation microelectronic technologies that are energy efficient and environment friendly. However, materials discovery and property optimization are typically time-consuming due to the limited throughput of traditional synthesis methods. In this work, we use a high-throughput combinatorial synthesis approach to fabricate lead-free ferroelectric superlattices and solid solutions of (Ba 0.7 Ca 0.3 )TiO 3 (BCT) and Ba(Zr 0.2 Ti 0.8 )O 3 (BZT) phases with continuous variation of composition and layer thickness. High-resolution x-ray diffraction (XRD) and analytical scanning transmission electron microscopy (STEM) demonstrate high film quality and well-controlled compositional gradients. Ferroelectric and dielectric property measurements identify the “optimal property point” achieved at the composition of 48BZT–52BCT. Displacement vector maps reveal that ferroelectric domain sizes are tunable by varying {BCT–BZT} N superlattice geometry. This high-throughput synthesis approach can be applied to many other material systems to expedite new materials discovery and properties optimization, allowing for the exploration of a large area of phase space within a single growth.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The role of alkali metal exchange in zeolite-templated carbon synthesis

Despite great efforts to achieve ideal atomistic packing of carbon in the pore networks of even the largest pore zeolites, templating inaccuracies are ubiquitous in all presently synthesized zeolite-templated carbon (ZTC) materials. Idealized models suggest that the long-sought schwarzite-like structures could in principle be obtained by zeolite templating if the appropriate zeolite template were chosen (e.g., faujasite for D surface schwarzites) and if perfect template fidelity (insertion of a pristine layer of pure carbon directly on the surface of the zeolite) could be achieved. A requirement to achieve such structures is increased carbon density within the zeolite. We report the investigation of a series of alkali metal cation-exchanged zeolites to determine how the periodic trends in the group 1 elements influence zeolite templating, with a specific focus on the metric of structural packing density (SPD) as resolved by ex situ thermogravimetry. In a survey based on controlled synthesis temperature, time, and flow conditions, an increasing SPD was observed with decreasing cation size, an effect that is consistent with the increasing strength of cation-π interactions. Furthermore, this effect could be promising for future work to increase the SPD of ZTCs for the synthesis of closed-tube, schwarzite-like carbonaceous solids.

03 NATURAL GAS↗
NASA NTRS1991

Nuclear thermal propulsion test facility requirements and development strategy

The Nuclear Thermal Propulsion (NTP) subpanel of the Space Nuclear Propulsion Test Facilities Panel evaluated facility requirements and strategies for nuclear thermal propulsion systems development. High pressure, solid core concepts were considered as the baseline for the evaluation, with low pressure concepts an alternative. The work of the NTP subpanel revealed that a wealth of facilities already exists to support NTP development, and that only a few new facilities must be constructed. Some modifications to existing facilities will be required. Present funding emphasis should be on long-lead-time items for the major new ground test facility complex and on facilities supporting nuclear fuel development, hot hydrogen flow test facilities, and low power critical facilities.

Allen, George C.↗
NASA NTRS1993

Melt spinning study

Containerless processing of materials provides an excellent opportunity to study nucleation phenomena and produce unique materials, primarily through the formation of metastable phases and deep undercoolings. Deep undercoolings can be readily achieved in falling drops of molten material. Extended solute solubilities and greatly refined microstructures can also be obtained in containerless processing experiments. The Drop Tube Facility at Marshall Space Flight Center has played an important role in enhancing that area of research. Previous experiments performed in the Drop Tube with refractory metals has shown very interesting microstructural changes associated with deep undercoolings. It is apparent also that the microstructure of the deep undercooled species may be changing due to the release of the latent heat of fusion during recalescence. For scientific purposes, it is important to be able to differentiate between the microstructures of the two types of metallic species. A review of the literature shows that although significant advances have been made with respect to the engineering aspects of rapid solidification phenomena, there is still much to be learned in terms of understanding the basic phenomena. The two major ways in which rapid solidification processing provides improved structures and hence improved properties are: (1) production of refined structures such as fine dendrites and eutectics, and (2) production of new alloy compositions, microstructures, and phases through extended solid solubility, new phase reaction sequences, and the formation of metallic-glass microstructures. The objective of this work has been to determine the optimal methodology required to extract this excess energy without affecting the thermo-physical parameters of the under-cooled melt. In normal containerless processing experiments recalescence occurs as the melt returns toward the melting point in order to solidify. A new type of experiment is sought in which the resultant microstructure of the undercooled species is frozen in without going through the melting point regime and subsequent near equilibrium solidification of the remaining liquid. This experimental approach entails the design of an appropriate melt spinning system which is compatible with Drop Tube operations and processing constraints. That work is the goal of this study.

Workman, Gary L.↗
NASA NTRS1999

Bubble Dynamics on a Heated Surface

In this work, we study steady and oscillatory thermocapillary and natural convective flows generated by a bubble on a heated solid surface. The interaction between gas and vapor bubbles with the surrounding fluid is of interest for both space and ground-based processing. A combined numerical-experimental approach is adopted here. The temperature field is visualized using Mach-Zehnder and/or Wollaston Prism Interferometry and the flow field is observed by a laser sheet flow visualization technique. A finite element numerical model is developed which solves the transient two-dimensional continuity, momentum, and energy equations and includes the effects of temperature-dependent surface tension and bubble surface deformation. Below the critical Marangoni number, the steady state low-g and 1-g temperature and velocity fields predicted by the finite element model are in excellent agreement with both the visualization experiments in our laboratory and recently published experimental results in the literature. Above the critical Marangoni number, the model predicts an oscillatory flow which is also closely confirmed by experiments. It is shown that the dynamics of the oscillatory flow are directly controlled by the thermal and hydrodynamic interactions brought about by combined natural and thermocapillary convection. Therefore, as numerical simulations show, there are considerable differences between the 1-g and low-g temperature and flow fields at both low and high Marangoni numbers. This has serious implications for both materials processing and fluid management in space.

Kassemi, M.↗
NASA NTRS1995

Temperature and Forward Flight Effects on an Underexpanded Jet Noise

An experimental investigation was carried out in the NASA Ames 40'x80' wind tunnel to investigate the far field noise characteristics of a supersonic jet exiting from an axisymmetric convergent nozzle. The nozzle geometry conforms to the ASME specifications for the long radius nozzle. The nozzle pressure ratio NPR, (stagnation pressure/ambient pressure) was varied from 2.5 to 4.5. The temperature ratio, TR (stagnation temperature/ambient temperature) was varied from 2.5 to 3.5. The resulting Reynolds number range, based on the nozzle exit diameter of 12.55cm, is from 0.98 -1.27 x 10(exp 6). The far field directivity was obtained using 1/4 inch diameter condenser microphone with the Flow-Induced Tone Eliminator (FITE) aerodynamic microphone fore body. Appropriate microphone corrections, developed by Allen et al., were made for accurate in-flow acoustic measurements at high frequencies. The narrow band (band width = 64 Hz) frequency spectra covering a range from 0 to 70 KHz were obtained with an accuracy of plus or minus 0.6dB. Typical narrow-band spectra representing far field noise in the forward quadrant, normal to the jet axis and the aft quadrant are shown. The three dominant components of the noise, the screech tone, broad-band shock associated noise and the mixing noise, are clearly identifiable in the spectra. The variation of the screech tone with the exit Mach number (calculated from the isentropic equation relating NPR to Mach number), is shown. The solid line in the figure is calculated using Tam's formula. The model developed by Tam seems to work well even at high temperatures. The appearance of the screech tone is confined to the forward quadrant (theta less than or equal to 60 degrees; the angle theta is measured from the inlet axis). The amplitude of the tone is about 10 dB higher than the broad band noise, which is less than the normally observed amplitude for cold jets operating at similar conditions.

Krothapalli, A.↗