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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Numerical simulation of temperature field, microstructure evolution and mechanical properties of HSS during hot stamping

The hot stamping of boron steels is widely used to produce ultra high strength automobile components without any spring back. The ultra high strength of final products is attributed to the fully martensitic microstructure that is obtained through the simultaneous forming and quenching of the hot blanks after austenization. In the present study, a mathematical model incorporating both heat transfer and the transformation of austenite is presented. A FORTRAN program based on finite element technique has been developed which permits the temperature distribution and microstructure evolution of high strength steel during hot stamping process. Two empirical diffusion-dependent transformation models under isothermal conditions were employed respectively, and the prediction capability on mechanical properties of the models were compared with the hot stamping experiment of an automobile B-pillar part.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Microstructure of highly strained BiFeO{sub 3} thin films: Transmission electron microscopy and electron-energy loss spectroscopy studies

Microstructure and electronic structure of highly strained bismuth ferrite (BiFeO{sub 3}) thin films grown on lanthanum aluminate substrates are studied using high-resolution transmission and scanning transmission electron microscopies and electron energy loss spectroscopy (EELS). Monoclinic and tetragonal phases were observed in films grown at different temperatures, and a mix of both phases was detected in a film grown at intermediate temperature. In this film, a smooth transition of the microstructure was found between the monoclinic and the tetragonal phases. A considerable increase in the c-axis parameters was observed in both phases compared with the rhombohedral bulk phase. The off-center displacement of iron (Fe) ions was increased in the monoclinic phase as compared with the tetragonal phase. EEL spectra show different electronic structures in the monoclinic and the tetragonal phases. These experimental observations are well consistent with the results of theoretical first-principle calculations performed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Nonlinear acoustics experimental characterization of microstructure evolution in Inconel 617

Inconel 617 is a candidate material for the intermediate heat exchanger in a very high temperature reactor for the next generation nuclear power plant. This application will require the material to withstand fatigue-ratcheting interaction at temperatures up to 950°C. Therefore nondestructive evaluation and structural health monitoring are important capabilities. Acoustic nonlinearity (which is quantified in terms of a material parameter, the acoustic nonlinearity parameter, β) has been proven to be sensitive to microstructural changes in material. This research develops a robust experimental procedure to track the evolution of damage precursors in laboratory tested Inconel 617 specimens using ultrasonic bulk waves. The results from the acoustic non-linear tests are compared with stereoscope surface damage results. Therefore, the relationship between acoustic nonlinearity and microstructural evaluation can be clearly demonstrated for the specimens tested.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Study of aging effects in a Ti-6AL-4V alloy with Widmanstätten and equiaxed microstructures by non-destructive means

When the Ti-6Al-4V alloy is over-aged at 500-600°C, nanometer-sized α{sub 2} (Ti{sub 3}Al) phases can be homogeneously precipitated inside α phases, thereby leading to the additional improvement of mechanical properties. The present study was concerned with the effects of over-aging on thermoelectric power (TEP) measurements in a Ti-6Al-4V alloy. Widmanstätten and equiaxed microstructures containing fine and agr{sub 2} (Ti{sub 3}Al) particles were obtaining by over-aging a Ti-6Al-4V alloy. Over-aging heat treatments were conducted at 515°C, 545°C and 575°C for different aging times. In order to find out the factors affecting the variation in the TEP, the over-aging samples were examined by optical microscopy (OM) and (SEM) scanning electron microscopy. In particular, we studied the behavior of the physical material property hardness, an important parameter of the Ti-6Al-4V alloy mechanical properties, with respect to the variation in the aging time and temperature. It was found that the TEP measurements reveal an increase in the magnitude of the absolute TEP value of the over-aged Widmanstätten and equiaxed microstructures with regards to the unaged condition for different aging times, with a somewhat higher value at 515°C.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Characterization of microstructure with low frequency electromagnetic techniques

A new computational method for characterizing the relationship between surface crystallography and electrical conductivity in anisotropic materials with low frequency electromagnetic techniques is presented. The method is discussed from the standpoint of characterizing the orientation of a single grain, as well as characterizing statistical information about grain ensembles in the microstructure. Large-area electron backscatter diffraction (EBSD) data was obtained and used in conjunction with a synthetic aperture approach to simulate the eddy current response of beta annealed Ti-6Al-4V. Experimental eddy current results are compared to the computed eddy current approximations based on electron backscatter diffraction (EBSD) data, demonstrating good agreement. The detectability of notches in the presence of noise from microstructure is analyzed with the described simulation method and advantages and limitations of this method are discussed relative to other NDE techniques for such analysis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Elimination of columnar microstructure in N-face InAlN, lattice-matched to GaN, grown by plasma-assisted molecular beam epitaxy in the N-rich regime

The microstructure of N-face InAlN layers, lattice-matched to GaN, was investigated by scanning transmission electron microscopy and atom probe tomography. These layers were grown by plasma-assisted molecular beam epitaxy (PAMBE) in the N-rich regime. Microstructural analysis shows an absence of the lateral composition modulation that was previously observed in InAlN films grown by PAMBE. A room temperature two-dimensional electron gas (2DEG) mobility of 1100 cm{sup 2}/V s and 2DEG sheet charge density of 1.9 × 10{sup 13} cm{sup −2} was measured for N-face GaN/AlN/GaN/InAlN high-electron-mobility transistors with lattice-matched InAlN back barriers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Investigation of cellular microstructure and enhanced coercivity in sputtered Sm{sub 2}(CoCuFeZr){sub 17} film

We have investigated the effect of annealing temperature on the microstructure and magnetic properties of Sm{sub 2}(CoCuFeZr){sub 17} films prepared using ion beam sputtering at room temperature. The as-deposited film shows randomly oriented polycrystalline grains and exhibits small coercivity (H{sub C}) of 0.04 T at room temperature. Post annealing of these films at 700 °C under Ar atmosphere shows significant changes in the microstructure transforming it to the development of cellular growth, concomitant with enhanced coercivity up to 1.3 T. The enhanced coercivity is explained using the domain wall pinning mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Modeling of microstructural effects on electromigration failure

Current electromigration models used for simulation and analysis of interconnect reliability lack the appropriate description of metal microstructure and consequently have a very limited predictive capability. Therefore, the main objective of our work was obtaining more sophisticated electromigration tools. The problem is addressed through a combination of different levels of atomistic modeling and already available, continuum level macroscopic models. A novel method for an ab initio calculation of the effective valence for electromigration is presented and its application on the analysis of EM behavior is demonstrated. Additionally, a simple analytical model for the early electromigration lifetime is obtained. We have shown that its application provides a reasonable estimate for the early electromigration failures including the effect of microstructure. A simulation study is also applied on electromigration failure in tin solder bumps, where it contributed the understanding of the role of tin crystal anisotropy in the degradation mechanism of solder bumps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Microstructure and conductance-slope of InAs/GaSb tunnel diodes

InAs/GaSb and similar materials systems have generated great interest as a heterojunction for tunnel field effect transistors (TFETs) due to favorable band alignment. However, little is currently understood about how such TFETs are affected by materials defects and nonidealities. We present measurements of the conductance slope for various InAs/GaSb heterojunctions via two-terminal electrical measurements, which removes three-terminal parasitics and enables direct study on the effect of microstructure on tunnelling. Using this, we can predict how subthreshold swings in TFETs can depend on microstructure. We also demonstrate growth and electrical characterization for structures grown by metalorganic chemical vapor deposition (MOCVD)—a generally more scalable process compared with molecular beam epitaxy (MBE). We determine that misfit dislocations and point defects near the interface can lead to energy states in the band-gap and local band bending that result in trap-assisted leakage routes and nonuniform band alignment across the junction area that lower the steepness of the conductance slope. Despite the small lattice mismatch, misfit dislocations still form in InAs on GaSb due to relaxation as a result of large strain from intermixed compositions. This can be circumvented by growing GaSb on InAs, straining the GaSb underlayer, or lowering the InAs growth temperature in the region of the interface. The conductance slope can also be improved by annealing the samples at higher temperatures, which we believe acts to annihilate point defects and average out major fluctuations in band alignment across the interface. Using a combination of these techniques, we can greatly improve the steepness of the conductance slope which could result in steeper subthreshold swings in TFETs in the future.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effect of microstructure anisotropy on the deformation of MAX polycrystals studied by in-situ compression combined with neutron diffraction

In situ compression tests combined with neutron diffraction were performed on Ti{sub 2}AlN MAX polycrystals with lamellar anisotropic microstructure: the diffraction peak evolution (position and profile) with applied stress reveals that lamellar grains parallel to compression axis remain elastic while lamellar grains perpendicular to compression plastify, both families being subjected to strong variations of heterogeneous strains (types II and III). We demonstrate that this behavior originates from the complex response of the very anisotropic lamellar microstructure and explains the observation of reversible hysteretic loops when cycling MAX polycrystals even in the elastic regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Strength, stiffness, and microstructure of Cu(In,Ga)Se{sub 2} thin films deposited via sputtering and co-evaporation

This work examines Cu(In,Ga)Se{sub 2} thin films fabricated by (1) selenization of pre-sputtered Cu-In-Ga and (2) co-evaporation of each constituent. The efficiency disparity between films deposited via these two methods is linked to differences in morphology and microstructure. Atomic force microscopy and scanning electron microscopy show that selenized films have rougher surfaces and poor adhesion to molybdenum back contact. Transmission electron microscopy and electron energy loss spectroscopy revealed multiple voids near the Mo layer in selenized films and a depletion of Na and Se around the voids. Residual stresses in co-evaporated films were found to be ∼1.23 GPa using wafer curvature measurements. Uniaxial compression experiments on 500 nm-diameter nanopillars carved out from co-evaporated films revealed the elastic modulus of 70.4 ± 6.5 GPa. Hertzian contact model applied to nanoindentation data on selenized films revealed the indentation modulus of 68.9 ± 12.4 GPa, which is in agreement with previous reports. This equivalence of the elastic moduli suggests that microstructural differences manifest themselves after the yield point. Typical plastic behavior with two distinct failure modes is observed in the extracted stress-strain results, with the yield strength of 640.9 ± 13.7 MPa for pillars that failed by shearing and 1100.8 ± 77.8 MPa for pillars that failed by shattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Spall behavior of cast iron with varying microstructures

The spall strength of cast iron with varying microstructures has been investigated using plate impact at moderate speed. Stress history measurements were made with manganin stress gauges embedded between the back face of the specimen and a low impedance polycarbonate backing. Five separate cast irons were tested. Four of these consisted of gray cast iron with graphite in flake form, with three classified as Type VII A2 and the fourth containing a bimodal distribution of Types VII A4 and VII D8. The fifth casting consisted of ductile cast iron with graphite in nodular form, classified as Type I, size class 5. The spall strength for the Type VII A2 gray cast irons varied between 40 and 370 MPa, and that of the additional gray cast iron, between 410 and 490 MPa. The spall strength of the ductile cast iron fell within the range of 0.94–1.2 GPa. It is shown that the spall strength is linked to the damage level at the spall plane, where an increased level of tensile stress is required to generate higher levels of damage. Post mortem analysis was performed on the recovered samples, revealing the graphite phase to be the primary factor governing the spall fracture of cast irons, where crack nucleation is directly correlated to the debonding of graphite from the metal matrix. The average length of graphite found within a casting is linked to the material's strength, where strength increases as a function of decreasing length. The morphology and mean free path of graphite precipitates further govern the subsequent coalescence of initiated cracks to form a complete fracture plane. In cases where graphite spacing is large, increased energy level is required to complete the fracture process. A secondary factor governing the spall fracture of cast irons has also been linked to the microstructure of the metal matrix, with pearlite yielding higher spall strengths than free ferrite.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Optimal packing size of non-ligated CdSe nanoclusters for microstructure synthesis

Structural and electrostatic properties of nanoclusters of CdSe of diameter 1–2 nm are studied with first principle calculations to determine the optimal size for synthesizing microstructures. Based on robustness of the core structure, i.e., the retention of tetrahedral geometry, hexagonal ring structure, and overall wu{sup ¨}rtzite structure to surface relaxations, we conclude that nanoclusters of ~2 nm diameter are the best candidates to form a dense microstructure with minimal interstitial space. Se-terminated surfaces retain a zigzag structure as Se atoms are pulled out and Cd atoms are pulled in due to relaxation, therefore, are best suited for inter-nanocluster formations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effect of substrate temperature on the microstructural properties of titanium nitride nanowires grown by pulsed laser deposition

The current work reports on the growth and microstructural characterization of titanium nitride (TiN) nanowires on single crystal silicon substrates using a pulsed laser deposition method. The physical and microstructural properties of the nanowires were characterized using field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM). The corrosion properties of the TiN nanowires compared to TiN thin film were evaluated using Direct Current potentiodynamic and electrochemical impedance spectroscopy. The nanowires corroded faster than the TiN thin film, because the nanowires have a larger surface area which makes them more reactive in a corrosive environment. It was observed from the FESEM image analyses that as the substrate temperature increases from 600 °C to 800 °C, there was an increase in both diameter (25 nm–50 nm) and length (150 nm–250 nm) of the nanowire growth. There was also an increase in spatial density with an increase of substrate temperature. The TEM results showed that the TiN nanowires grow epitaxially with the silicon substrate via domain matching epitaxy paradigm, despite a large misfit.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The microstructural evolution of ultrananocrystalline diamond films due to P ion implantation process—the annealing effect

The microstructural evolution of UNCD films which are P-ion implanted and annealed at 600 °C (or 800 °C) is systematically investigated. The difference of interaction that the UNCD content undergoes along the trajectory of the incident P-ions is reflected in the alteration of the granular structure. In regions where the P-ions reside, the “interacting zone,” which is found at about 300 nm beneath the surface of the films, coalescence of diamond grains occurs inducing nano-graphitic clusters. The annealing at 600 °C (or 800 °C) heals the defects and, in some cases, forms interconnected graphitic filaments that result in the decrease in surface resistance. However, the annealing at 600 °C (800 °C) induces marked UNCD-to-Si layers interaction. This interaction due to the annealing processes hinders the electron transport across the interface and degrades the electron field emission properties of the UNCD films. These microstructural evolution processes very well account for the phenomenon elaborating that, in spite of enhanced conductivity of the UNCD films along the film's surface due to the P-ion implantation and annealing processes, the electron field emission properties for these UNCD films do not improve.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Composite modulation of Fano resonance in plasmonic microstructures by electric-field and microcavity

Composite modulation of Fano resonance by using electric-field and microcavity simultaneously is realized in a plasmonic microstructure, which consists of a gold nanowire grating inserted into a Fabry-Perot microcavity composited of a liquid crystal layer sandwiched between two indium tin oxide layers. The Fano resonance wavelength varies with the applied voltage and the microcavity resonance. A large shift of 48 nm in the Fano resonance wavelength is achieved when the applied voltage is 20 V. This may provide a new way for the study of multi-functional integrated photonic circuits and chips based on plasmonic microstructures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Microstructure from joint analysis of experimental data and ab initio interactions: Hydrogenated amorphous silicon

A study of the formation of voids and molecular hydrogen in hydrogenated amorphous silicon is presented based upon a hybrid approach that involves inversion of experimental nuclear magnetic resonance data in conjunction with ab initio total-energy relaxations in an augmented solution space. The novelty of this approach is that the voids and molecular hydrogen appear naturally in the model networks unlike conventional approaches, where voids are created artificially by removing silicon atoms from the networks. Two representative models with 16 and 18 at. % of hydrogen are studied in this work. The result shows that the microstructure of the a-Si:H network consists of several microvoids and few molecular hydrogen for concentration above 15 at. % H. The microvoids are highly irregular in shape and size, and have a linear dimension of 5–7 Å. The internal surface of a microvoid is found to be decorated with 4–9 hydrogen atoms in the form of monohydride Si–H configurations as observed in nuclear magnetic resonance experiments. The microstructure consists of (0.9–1.4)% hydrogen molecules of total hydrogen in the networks. These observations are consistent with the outcome of infrared spectroscopy, nuclear magnetic resonance, and calorimetry experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effects of microstructure and water on the electrical potentials in bone induced by ultrasound irradiation

The healing mechanism of bone fractures by low intensity pulse ultrasound is yet to be fully understood. There have been many discussions regarding how the high frequency dynamic stress can stimulate numerous cell types through various pathways. As one possible initial process of this mechanism, we focus on the piezoelectricity of bone and demonstrate that bone can generate electrical potentials by ultrasound irradiation in the MHz range. We have fabricated ultrasonic bone transducers using bovine cortical bone as the piezoelectric device. The ultrasonically induced electrical potentials in the transducers change as a function of time during immersed ultrasonic pulse measurements and become stable when the bone is fully wet. In addition, the magnitude of the induced electrical potentials changes owing to the microstructure in the cortical bone. The potentials of transducers with haversian structure bone are higher than those of plexiform structure bone, which informs about the effects of bone microstructure on the piezoelectricity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗