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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Structures for the 3rd Generation Reusable Concept Vehicle

A major goal of NASA is to create an advance space transportation system that provides a safe, affordable highway through the air and into space. The long-term plans are to reduce the risk of crew loss to 1 in 1,000,000 missions and reduce the cost of Low-Earth Orbit by a factor of 100 from today's costs. A third generation reusable concept vehicle (RCV) was developed to assess technologies required to meet NASA's space access goals. The vehicle will launch from Cape Kennedy carrying a 25,000 lb. payload to the International Space Station (ISS). The system is an air breathing launch vehicle (ABLV) hypersonic lifting body with rockets and uses triple point hydrogen and liquid oxygen propellant. The focus of this paper is on the structural concepts and analysis methods used in developing the third generation reusable launch vehicle (RLV). Member sizes, concepts and material selections will be discussed as well as analysis methods used in optimizing the structure. Analysis based on the HyperSizer structural sizing software will be discussed. Design trades required to optimize structural weight will be presented.

Hrinda, Glenn A.↗
NASA NTRS2012

Evaluation of Delamination Growth Characterization Methods Under Mode I Fatigue Loading

Reliable delamination characterization data for laminated composites are needed for input to analytical models of structures to predict delamination. The double-cantilevered beam (DCB) specimen is used with laminated composites to measure fracture toughness, G(sub Ic), delamination onset strain energy release rate, and growth rate data under cyclic loading. In the current study, DCB specimens of IM7/8552 graphite/epoxy supplied by two different manufacturers were tested in static and fatigue to compare the measured characterization data from the two sources, and to evaluate a proposed ASTM standard for generating Paris Law equations. Static results were used to generate compliance calibration constants for the fatigue data, and a delamination resistance curve, G(sub IR), which was used to determine the effects of fiber-bridging on delamination growth. Specimens were tested in fatigue at a cyclic G(sub Imax) level equal to 50, 40 or 30% of G(sub Ic), to determine a delamination onset curve and delamination growth rate. The delamination onset curve equations had similar exponents and the same trends. Delamination growth rate was calculated by fitting a Paris Law to the da/dN versus G(sub Imax) data. Both a 2-point and a 7-point data reduction method were used and the Paris Law equations were compared. To determine the effects of fiber-bridging, growth rate results were normalized by the delamination resistance curve for each material and compared to the non-normalized results. Paris Law exponents were found to decrease by 31% to 37% due to normalizing the growth data. Normalizing the data also greatly reduced the amount of scatter between the different specimens. Visual data records from the fatigue testing were used to calculate individual compliance calibration constants from the fatigue data for some of the specimens. The resulting da/dN versus G(sub Imax) plots showed much improved repeatability between specimens. Gretchen

Murri, Gretchen B.↗
DOE OSTI2015

Design and performance testing of a novel far field Gamma system to assay radioactive waste in 400 and 200 litre drums - 15339

A Far Field Gamma ray Measurement system has been developed for measuring and assaying both 400 and 200 litre waste drums with a wide range of activity at nuclear power stations. These include radioactive waste drums with surface dose-rates of less than 2 mSv/h (200 mrem/h) and, at the higher range of activity, 400 litre drums with surface dose-rates of up to 50 mSv/h (5 rem/h). The assay system incorporates an electro-mechanically cooled high purity Germanium profile detector and advanced digital spectroscopic analysis electronics. A novel optimised conical-trapezoidal collimator has been incorporated to reduce the effect of the radioactive background in addition to the conventional detector lead shield with tin and copper graded lining to reduce the effect of lead X-rays. Two features have been incorporated to reduce detector dead time and maintain detector resolution when measuring high activity drums. The first is the inclusion of two automated tungsten filters of different thickness as an integral part of the detector collimator. The filters are used in conjunction with an automated rail system on which the detector platform is mounted. The detector can be positioned at different distances from the drum surface in order to reduce detector dead time. The deployment of the filters and the adjustment of the drum - detector position are automatically controlled based on a user defined dose-rate limit table. The data is provided by two Geiger-Muller dose-rate detectors, which are used to measure the drum surface dose-rate. This data is subsequently used to adjust the detector position and in cases of higher dose-rate deploy one or other of the tungsten filters. The drum rotation platform incorporates a load cell to determine drum weight and hence the drum density. This information is used to calculate an attenuation correction based on the assumption of uniform drum density and uniform distribution of activity within the drum. Where the waste drums have a more complicated and known regular internal structure, such as a small radioactive region surrounded by an annulus of shielding material, the analysis algorithms incorporated into the far field geometry and attenuation correction spectroscopic data analysis code are able to make a more accurate determination of drum activity than would be possible assuming a completely uniform drum. The detector energy and efficiency calibration is achieved using a point source with multiple gamma ray energy peaks. The response of the high purity Germanium detector is also modelled using the Monte Carlo Neutron Photon code and the model is benchmarked using the measured point source calibration data. The performance of the instrument has been determined for a range of uniform density matrix drums containing a set of Eu-152 line or rod sources located in re-entrant tubes positioned on an equal volume basis. When rotated, the test drums with volume distributed line sources simulate waste drums of different density each with a uniformly distributed radioactive source. The measurements have been validated using Monte Carlo simulations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

One dimensional wormhole corrosion in metals

Corrosion is a ubiquitous failure mode of materials. Often, the progression of localized corrosion is accompanied by the evolution of porosity in materials previously reported to be either three-dimensional or two-dimensional. However, using new tools and analysis techniques, we have realized that a more localized form of corrosion, which we call 1D wormhole corrosion, has previously been miscategorized in some situations. Using electron tomography, we show multiple examples of this 1D and percolating morphology. To understand the origin of this mechanism in a Ni-Cr alloy corroded by molten salt, we combined energy-filtered four-dimensional scanning transmission electron microscopy and ab initio density functional theory calculations to develop a vacancy mapping method with nanometer-resolution, identifying a remarkably high vacancy concentration in the diffusion-induced grain boundary migration zone, up to 100 times the equilibrium value at the melting point. Deciphering the origins of 1D corrosion is an important step towards designing structural materials with enhanced corrosion resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Preparation and stress evolution of sol–gel SiO{sub 2} antireflective coatings for small-size anisotropic lithium triborate crystals

Lithium triborate (LiB{sub 3}O{sub 5}, LBO) crystal is now one of the most useful nonlinear optical materials for frequency conversion of high power lasers. The use of the crystal, however, has been hampered by the unavailability of antireflective (AR) coatings with high laser damage resistance. In this work, a “point contact” dip-coating method is developed to prepare sol–gel SiO{sub 2} AR coatings on small-size LBO crystals. Using this approach, we obtain a homogenous coating surface on an 8 mm×8 mm×3 mm LBO crystal. The stress measurements show that the stresses in sol–gel SiO{sub 2} coatings vary with the time of natural drying, which is beyond our expectation. The anisotropic Young’s modulus of the LBO crystal and the different evolution tendency of the stress in the different SiO{sub 2} coating layers are found to be responsible for the crack of the double-layer AR coatings on anisotropic LBO crystal. Meanwhile, the resulting coatings on LBO crystal achieve a LIDT of over 15 J/cm{sup 2} (532 nm, 3ns) and the coated LBO is expected to have a transmittance of over 99% at 800 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1989

Analytical modeling of structure-soil systems for lunar bases

The study of the behavior of granular materials in a reduced gravity environment and under low effective stresses became a subject of great interest in the mid 1960's when NASA's Surveyor missions to the Moon began the first extraterrestrial investigation and it was found that Lunar soils exhibited properties quite unlike those on Earth. This subject gained interest during the years of the Apollo missions and more recently due to NASA's plans for future exploration and colonization of Moon and Mars. It has since been clear that a good understanding of the mechanical properties of granular materials under reduced gravity and at low effective stress levels is of paramount importance for the design and construction of surface and buried structures on these bodies. In order to achieve such an understanding it is desirable to develop a set of constitutive equations that describes the response of such materials as they are subjected to tractions and displacements. This presentation examines issues associated with conducting experiments on highly nonlinear granular materials under high and low effective stresses. The friction and dilatancy properties which affect the behavior of granular soils with low cohesion values are assessed. In order to simulate the highly nonlinear strength and stress-strain behavior of soils at low as well as high effective stresses, a versatile isotropic, pressure sensitive, third stress invariant dependent, cone-cap elasto-plastic constitutive model was proposed. The integration of the constitutive relations is performed via a fully implicit Backward Euler technique known as the Closest Point Projection Method. The model was implemented into a finite element code in order to study nonlinear boundary value problems associated with homogeneous as well as nonhomogeneous deformations at low as well as high effective stresses. The effect of gravity (self-weight) on the stress-strain-strength response of these materials is evaluated. The calibration of the model is performed via three techniques: (1) physical identification, (2) optimized calibration at the constitutive level, and (3) optimized calibration at the finite element level (Inverse Identification). Activities are summarized in graphic and outline form.

Macari-Pasqualino, Jose Emir↗
DOE OSTI2026

Ab Initio Many Body Quantum Embedding and Local Correlation in Crystalline Materials using Interpolative Separable Density Fitting

We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which reduces the scaling of the calculations to only linear with the number of k-points. Employing this methodology, we compute correlated ground-state coupled cluster energies within density matrix embedding and local natural orbital correlation frameworks for both weakly and strongly correlated solids, using up to 1000 k-points. By extrapolating the local correlation domains and k-point sampling we further obtain estimates of the full coupled cluster with singles, doubles, and perturbative triples ground-state energies in the thermodynamic limit.

Chemical Physics (physics.chem-ph)↗
DOE OSTI2019

Method for Measuring Dry Density of Compacted Bentonite Mixture Soil Using 3D Laser Scanner data - 19119

The bentonite mixture soil is planned to be used for the low-permeability layer of low-level radioactive waste (LLW) disposal facilities. The construction of the bentonite mixture soil is similar to that of normal soil construction, and the rolling pressure and/or vibration compaction are used. The quality control of construction is the same as normal soil work, and the construction management has to confirm that the compaction degree (that is ratio of the dry density to the modified proctor curve) is above specified value. As a method of measuring the dry density after construction, the conventional methods are the core cutter method and the sand replacement method. The measurement principle of these methods is simple and the reliability of the measurement value is high, but during measurements digging holes disturb the construction place, and the measurement duration is a disadvantage in these methods. Therefore, we developed a non-destructive method that can make measurements in a short time. The developed method uses the correlation between the density change and the layer thickness change before and after compaction, and estimates the density after compaction from the height change obtained from the survey results. However, since the material is compressed while the cross-sectional area spreads, this cross-sectional area change is also taken into consideration. By using the point cloud data of the 3D laser scanner surveying, it is possible to obtain almost continuous data in a short period of time. Corrected dry density values calculated by the above procedure ρ'{sub 3D} are generally consistent with dry density after compaction ρ{sub core} by the core cutter method. This method differs depending on the boundary conditions of the bottom and the side of the construction place. Then, the reliability of the method was evaluated by applying it to two boundary conditions and comparing it with the core cutter method. The proposed estimation method showed good agreement with the core cutter method. Therefore, it was confirmed that it is possible to estimate dry density with high reliability. Although this method needs to be used in set with core cutter method, the measurement frequency of the core cutter method can be reduced, and the measurement of a vast area can be done in a short time without disturbance. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Development of mixed conducting dense nickel/Ca-doped lanthanum zirconate cermet for gas separation application

Highlights: Black-Right-Pointing-Pointer Phase pure La{sub 1.95}Ca{sub 0.05}Zr{sub 2}O{sub 7-{delta}} (LCZ) material is prepared by combustion synthesis. Black-Right-Pointing-Pointer LCZ and Ni-LCZ bulk samples are prepared with theoretical density close to 100%. Black-Right-Pointing-Pointer Bulk electrical conductivity {approx}400 S/cm is obtained for Ni-LCZ cermet at 750 Degree-Sign C. -- Abstract: La{sub 1.95}Ca{sub 0.05}Zr{sub 2}O{sub 7-{delta}} (LCZ) and Ni-LCZ cermet have been prepared by combustion synthesis and conventional solid state mixing methods respectively. Both the materials are sintered in air and controlled atmosphere (5% H{sub 2} in Ar). The density obtained for the material sintered at 1400 Degree-Sign C in controlled atmosphere is found to be more than 99.5%. This sintering temperature (1400 Degree-Sign C) is considered to be much lower compared to the conventional sintering temperature. The corresponding total conductivity for such Ni-LCZ cermet materials is {approx}400 S/cm measured at 750 Degree-Sign C having 40 vol% of Ni and 60 vol% LCZ.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Understanding limiting factors in thick electrode performance as applied to high energy density Li-ion batteries

We present that increasing electrode thickness, thus increasing the volume ratio of active materials, is one effective method to enable the development of high energy density Li-ion batteries. In this study, an energy density versus power density optimization of LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA)/graphite cell stack was conducted via mathematical modeling. The energy density was found to have a maximum point versus electrode thickness (critical thickness) at given discharging C rates. The physics-based factors that limit the energy/power density of thick electrodes were found to be increased cell polarization and underutilization of active materials. The latter is affected by Li-ion diffusion in active materials and Li-ion depletion in the electrolyte phase. Based on those findings, possible approaches were derived to surmount the limiting factors. Finally, the improvement of the energy–power relationship in an 18,650 cell was used to demonstrate how to optimize the thick electrode parameters in cell engineering.

25 ENERGY STORAGE↗
DOE OSTI2014

Fabrication of a Mo based high temperature TZM alloy by non-consumable arc melting technique

High temperature structural materials are in great demand for power, chemical and nuclear industries which can perform beyond 1000 °C as super alloys usually fail. In this regard, Mo based TZM alloy is capable of retaining strength up to 1500 °C with excellent corrosion compatibility against molten alkali metals. Hence, currently this alloy is considered an important candidate material for high temperature compact nuclear and fusion reactors. Due to reactive nature of Mo and having high melting point, manufacturing this alloy by conventional process is unsuitable. Powder metallurgy technique has limited success due to restriction in quantity and purity. This paper deals with fabrication of TZM alloy by nonconsumable tungsten arc melting technique. Initially a ternary master alloy of Mo-Ti-Zr was prepared which subsequently by dilution method, was converted into TZM alloy gradually by external addition of Mo and C in various proportions. A number of melting trials were conducted to optimize the process parameters like current, voltage and time to achieve desired alloy composition. The alloy was characterized with respect to composition, elemental distribution profile, microstructure, hardness profile and phase analysis. Well consolidated alloy button was obtained having desired composition, negligible material loss and having microstructure as comparable to standard TZM alloy. (author)

36 MATERIALS SCIENCE↗
DOE OSTI2012

Effective material parameter retrieval for thin sheets: theory and application to graphene, thin silver films, and single-layer metamaterials

An important tool in the field of metamaterials is the extraction of effective material parameters from simulated or measured scattering parameters of a sample. Here we discuss a retrieval method for thin-film structures that can be approximated by a two-dimensional scattering sheet. We determine the effective sheet conductivity from the scattering parameters and we point out the importance of the magnetic sheet current to avoid an overdetermined inversion problem. Subsequently, we present two applications of the sheet retrieval method. First, we determine the effective sheet conductivity of thin silver films and we compare the resulting conductivities with the sheet conductivity of graphene. Second, we apply the method to a cut-wire metamaterial with an electric dipole resonance. The method is valid for thin-film structures such as two-dimensional metamaterials and frequency-selective surfaces and can be easily generalized for anisotropic or chiral media.

Effective medium↗
DOE OSTI2012

Gas dynamic aspects of silicon thin layers deposition using excitation of a free jet of the working gas mixture by an electron beam

A film of microcrystalline silicon ({mu}c-Si:H) deposited at low temperature is a promising material for thin-film silicon solar cells with high efficiency and high stability. To deposit silicon thin films with high deposition rate and high quality, a novel gas-jet deposition method has been developed. The paper is devoted to experimental and numerical study of the method from the gas dynamic point of view. A numerical model of the flow field of the working gas mixture in the device was developed that provides predictions of the film thickness distribution over the substrate surface and was found to describe the measured data satisfactory. The model may be used to optimize the operating parameters of the device.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Coarse-Grained Reactive Molecular Dynamics Simulations of Heterogeneities in Shocked Energetic Materials (LDRD Final Report)

This report summarizes the result of LDRD project 16-0161, titled "Coarse-Grained Re- active Molecular Dynamics Simulations of Heterogeneities in Shocked Energetic Materials." The purpose of the project was to develop a coarse-grained reactive molecular dynamics capability in LAMMPS enabling simulations of initiation in energetic materials comparable in accuracy to what is currently possible using large-scale reactive molecular dynamics, but with greatly reduced computational cost. The starting point for this work was the reactive dissipative particle dynamics (DPD) approach, which has been implemented as the new USER-DPD package in LAMMPS by researchers at Army Research Laboratory. Using modified versions of the examples provided with the new package, we examined the computational efficiency of the method, as well as its ability to model energy release in energetic materials. We observed that the Shardlow splitting method provides a great speed and accuracy advantage over conventional velocity Verlet time integration. We observed that the generic model of an energetic material provided with the USER-DPD package exhibited incomplete reaction under constant volume conditions. This was caused by quenching of the internal temperature of the molecules due to a rapid build-up of repulsive interactions between product gas components under constant volume conditions. Under constant pressure conditions, complete reaction was observed, as volume expansion prevented the buildup of strong repulsive interactions. Finally, a more realistic model calibrated to reproduce the equation of state of the RDX molecular crystal was examined. This model exhibited much less quenching of the internal temperature under constant volume conditions and reacted very rapidly under constant pressure conditions.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2015

Failure Predictions of Out-of-Autoclave Sandwich Joints with Delaminations under Flexure Loads

An analysis and a test program was conducted to investigate the damage tolerance of composite sandwich joints. The joints contained a single circular delamination between the face-sheet and the doubler. The coupons were fabricated through out-of-autoclave (OOA) processes, a technology NASA is investigating for joining large composite sections. The four-point bend flexure test was used to induce compression loading into the side of the joint where the delamination was placed. The compression side was chosen since it tends to be one of the most critical loads in launch vehicles. Autoclave cure was used to manufacture the composite sandwich sections, while the doubler was co-bonded onto the sandwich face-sheet using an OOA process after sandwich panels were cured. A building block approach was adopted to characterize the mechanical properties of the joint material, including the fracture toughness between the doubler and facesheet. Twelve four-point-bend samples were tested, six in the sandwich core ribbon orientation and six in sandwich core cross-ribbon direction. Analysis predicted failure initiation and propagation at the pre-delaminated location, consistent with experimental observations. A building block approach using fracture analyses methods predicted failure loads in close agreement with tests. This investigation demonstrated a small strength reduction due to a flaw of significant size compared to the width of the sample. Therefore, concerns of bonding an OOA material to an in-autoclave material was mitigated for the geometries, materials, and load configurations considered.

Damage↗
DOE OSTI2018

Theoretical understanding of photon spectroscopies in correlated materials in and out of equilibrium

Photon-based spectroscopies have had a significant impact on both fundamental science and applications by providing an efficient approach to investigate the microscopic physics of materials. Together with the development of synchrotron X-ray techniques, theoretical understanding of the spectroscopies themselves and the underlying physics that they reveal has progressed through advances in numerical methods and scientific computing. In this Review, we provide an overview of theories for angle-resolved photoemission spectroscopy and resonant inelastic X-ray scattering applied to quantum materials. First, we discuss methods for studying equilibrium spectroscopies, including first-principles approaches, numerical many-body methods and a few analytical advances. Second, we assess the recent development of ultrafast techniques for out-of-equilibrium spectroscopies, from characterizing equilibrium properties to generating transient or metastable states, mainly from a theoretical point of view. Lastly, we identify the main challenges and provide an outlook for the future direction of the field.

36 MATERIALS SCIENCE↗
DOE OSTI2012

The Li{sub y}Ni{sub 0.2}Mn{sub 0.2}Co{sub 0.6}O{sub 2} electrode materials: A structural and magnetic study

Graphical abstract: EPR signal of the Li{sub 0.6}Co{sub 0.6}Ni{sub 0.2}Mn{sub 0.2}O{sub 2} composition showing that Mn{sup 4+} ions are the solely paramagnetic ions in the structure. Highlights: Black-Right-Pointing-Pointer LiCo{sub 0.6}Ni{sub 0.2}Mn{sub 0.2}O{sub 2} was prepared by the combustion method with sucrose as a fuel. Black-Right-Pointing-Pointer Chemical delithiaition was performed by using NO{sub 2}BF{sub 4} oxidizing agent. Black-Right-Pointing-Pointer The rhombohedral symmetry was preserved upon lithium removal. Black-Right-Pointing-Pointer Lithium extraction leads to Ni{sup 2+} oxidation to Ni{sup 4+} followed by Co{sup 3+} oxidation. Black-Right-Pointing-Pointer The EPR narrow signal of Li{sub 0.6}Co{sub 0.6}Ni{sub 0.2}Mn{sub 0.2}O{sub 2} is due to the only active Mn{sup 4+} ions. -- Abstract: Layered LiNi{sub 0.2}Mn{sub 0.2}Co{sub 0.6}O{sub 2} phase, belonging to a solid solution between LiNi{sub 1/2}Mn{sub 1/2}O{sub 2} and LiCoO{sub 2} most commercialized cathodes, was prepared via the combustion method at 900 Degree-Sign C for a short time (1 h). Structural and magnetic properties of this material during chemical extraction were investigated. The powders adopted the {alpha}-NaFeO{sub 2} structure with almost none of the well-known Li/Ni cation disorder. The analysis of the magnetic properties in the paramagnetic domain agrees with the combination of Ni{sup 2+} (S = 1), Co{sup 3+} (S = 0) and Mn{sup 4+} (S = 3/2) spin-only values. X-ray analysis of the chemically delithiated Li{sub y}Ni{sub 0.2}Mn{sub 0.2}Co{sub 0.6}O{sub 2} reveals no structural transition. The process of lithium extraction from and insertion into LiNi{sub 0.2}Mn{sub 0.2}Co{sub 0.6}O{sub 2} was discussed on the basis of ex situ EPR experiments and magnetic susceptibility. Oxidation of Ni{sup 2+} (S = 1) to Ni{sup 3+} (S = 1/2) and to Ni{sup 4+} (S = 0) was observed upon lithium removal.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Reaction–drift–diffusion models from master equations: application to material defects

We present a general method to produce well-conditioned continuum reaction–drift–diffusion equations directly from master equations on a discrete, periodic state space. We assume the underlying data to be kinetic Monte Carlo models (i.e. continuous-time Markov chains) produced from atomic sampling of point defects in locally periodic environments, such as perfect lattices, ordered surface structures or dislocation cores, possibly under the influence of a slowly varying external field. Our approach also applies to any discrete, periodic Markov chain. Here, the analysis identifies a previously omitted non-equilibrium drift term, present even in the absence of external forces, which can compete in magnitude with the reaction rates, thus being essential to correctly capture the kinetics. To remove fast modes which hinder time integration, we use a generalized Bloch relation to efficiently calculate the eigenspectrum of the master equation. A well conditioned continuum equation then emerges by searching for spectral gaps in the long wavelength limit, using an established kinetic clustering algorithm to define a proper reduced, Markovian state space.

36 MATERIALS SCIENCE↗