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NASA NTRS2007

Strengthening Aluminum Alloys for High Temperature Applications Using Nanoparticles of Al203 and Al3-X Compounds (X= Ti, V, Zr)

In this paper the effect of nanoparticles A12O3 and A13-X compounds (X= Ti, V, Zr) on the improvement of mechanical properties of aluminum alloys for elevated temperature applications is presented. These nanoparticles were selected based on their chemical stability and low diffusions rates in aluminum matrix at high temperatures. The strengthening mechanism for aluminum alloy is based on the mechanical blocking of dislocation movements by these nanoparticles. Samples were prepared from A12O3 nanoparticle preforms, which were produced using ceramic injection molding process and pressure infiltrated by molten aluminum. A12O3 nanoparticles can also be homogeneously mixed with aluminum powder and consolidated into samples through hot pressing and sintering. On the other hand, the Al3-X nanoparticles are produced as precipitates via in situ reactions with molten aluminum alloys using conventional casting techniques. The degree of alloy strengthening using nanoparticles will depend on the materials, particle size, shape, volume fraction, and mean inter-particle spacing.

Lee, Jonathan A.↗

NASA NTRS2013

Crystal Shape Evolution in Detached Bridgman Growth

Detached (or dewetted) Bridgman crystal growth defines that process in which a gap exists between a growing crystal and the crucible wall. Existence of the gap provides several advantages, including no sticking of the crystal to the crucible wall, reduced thermal and mechanical stresses, reduced dislocations, and no heterogeneous nucleation by the crucible. Numerical calculations are used to determine the conditions in which a gap can exist. According to crystal shape stability theory, only some of these gap widths will be dynamically stable. Beginning with a crystal diameter that differs from stable conditions, the transient crystal growth process is analyzed. In microgravity, dynamic stability depends only on capillary effects and is decoupled from heat transfer. Depending on the initial conditions and growth parameters, the crystal shape will evolve towards the crucible wall, towards a stable gap width, or towards the center of the crucible, collapsing the meniscus. The effect of a tapered crucible on dynamic stability is also described

Volz, M. P.↗

NASA NTRS2013

Crystal Shape Evolution in Detached Bridgman Growth

Volz, M. P.↗

NASA NTRS1990

The development of physically based micro-mechanics - Based on the characteristic tip field of dislocation pileup

Based on the analytical solution by Eshelby et al. (1951) and the numerical calculations by Chou and Li (1969) and Armstrong et al. (1962), it is shown that the force, F, on the locked leading dislocation of a discrete dislocation pileup is capable of characterizing uniquely the stress, strain, and displacement field at the tip of the pileup, including the positions of the discrete mobile dislocations next to the leading dislocation. Conversely, the positions of the mobile dislocations can be used to measure F. The F thus measured can be used to study micro-plastic deformation and micro-fractures at grain boundaries or any other dislocation barriers.

Gao, Q.↗

NASA NTRS2020

Toward an In-Depth Material Model for Cermet Nuclear Thermal Rocket Fuel Elements

The development and qualification of nuclear thermal propulsion (NTP) fuel element technologies would be aided by an in-depth model of material response and failure modes at operating conditions. Integrated computational materials engineering techniques have the potential to provide such a model, as demonstrated here through three case studies focused on a tungsten-uranium mononitride cermet fuel. The first case focuses on the erosion of tungsten (W, also named wolfram), a nominal coating/cladding material, in hot hydrogen. Ab initio techniques are used to calculate erosion rates and thermal expansion at NTP operating conditions. The second focuses on the stability of uranium mononitride (UN) fuels at high temperature and in the presence of hydrogen. Phase diagram techniques reveal potential instabilities and decomposition pathways at high hydrogen concentrations. The third focuses on using microstructure information to predict high temperature mechanical response and failure of tungsten, used in refractory cermet materials. Combined finite element and discrete dislocation dynamics techniques provide mechanical properties in agreement with experimental methods. The integration of these techniques for an all-encompassing material model is discussed.

cermet↗

NASA NTRS1986

The tensile and fatigue deformation structures in a single crystal Ni-base superalloy

Dislocation structures produced in Rene N4 crystals of various orientations deformed in tension and low cycle fatigue (LCF) at 760 and 980 degrees C were examined in order to elucidate the observed differences in stress-strain behavior. Specimens tensile tested at 760 degrees C displayed significant crystallographic orientation dependences in mechanical response but comparable inhomogeneous dislocation structures. LCF specimens of various orientations had comparable cyclic stress-strain curves and generally similar somewhat more homogeneous dislocation structures. Tensile specimens at the higher temperature had comparable mechanical response and corresponding similar quite homogeneous dislocation structures with gamma' faulting; and LCF specimens had orientation-dependent mechanical response but comparable homogeneous loose dislocation networks.

Gabb, T. P.↗

NASA NTRS1999

Effects of Internal and External Hydrogen on Inconel 718

Internal hydrogen embrittlement (IHE) and hydrogen environment embrittlement (HEE) tensile and bend crack growth tests were performed on Inconel 718. For the IHE tests, the specimens were precharged to approximately 90 ppm hydrogen by exposure to 34.5 MPa H2 at 650 C. The HEE tests were performed in 34.5 MPa H2. Parameters evaluated were test temperature, strain rate for smooth and notch specimen geometries. The strain rate effect was very significant at ambient temperature for both IHE and HEE and decreased with increasing temperatures. For IHE, the strain rate effect was neglible at 260'C, and for HEE the strain rate effect was neglible at 400 C. At low temperatures, IHE was more severe than HEE, and at high temperatures HEE was more severe than IHE with a cross over temperature about 350 C. At 350 C, the equilibrium hydrogen concentration in Inconel 718 is about 50% lower than the hydrogen content of the precharged IHE specimens. Dislocation hydrogen sweeping of surface absorbed hydrogen was the likely transport mechanism for increasing the hydrogen concentration in the HEE tests sufficiently to produce the same degree of embrittlement as that of the more highly hydrogen charged IHE specimens. The main IHE fracture characteristic was formation of large, brittle flat facets, which decreased with increasing test temperature. The IHE fracture matrix surrounding the large facets ranged between brittle fine faceted to microvoid ductility depending upon strain rate, specimen geometry as well as temperature. The HEE fractures were characteristically fine featured, transgranular and brittle with a significant portion forming a "saw tooth" crystallographic pattern. Both IHE and HEE fractures were predominantly along the {1 1 1) slip and twin boundaries. With respect to embrittlement mechanism, it was postulated that dislocation hydrogen sweeping and hydrogen enhanced localized plasticity were active in HEE and IHE for concentrating hydrogen along (1 1 1) slip and twin planes. Final brittle failure occurred by hydrogen induced planer decohesion.

Walter, R. J.↗

NASA NTRS1998

New AFM Techniques for Investigating Molecular Growth Mechanisms of Protein Crystals

Atomic Force Microscopy (AFM) has emerged as a powerful technique for investigating protein crystal growth. Earlier AFM studies were among the first to demonstrate that these crystals grew by dislocation and 2D nucleation growth mechanisms [1]. These investigations were restricted to the micron range where only surface features, such as dislocation hillocks and 2D islands are visible. Most AFM instruments can scan at higher resolutions and have the potential to resolve individual protein molecules at nanometer ranges. Such scans are essential for determining the molecular packing arrangements on crystal faces and for probing the growth process at the molecular level. However, at this resolution the AFM tip influences the image produced, with the resulting image being a convolution of the tip shape and the surface morphology [2]. In most studies this problem is resolved by deconvoluting the image to obtain the true surface morphology. Although deconvolution routines work reasonably well for simple one- dimensional shapes, for complex surfaces this approach does not produce accurate results. In this study we devised a new approach which takes advantage of the precise molecular order of crystal surfaces, combined with the knowledge of individual molecular shapes from the crystallographic data of the protein and the AFM tip shape. This information is used to construct expected theoretical AFM images by convoluting the tip shape with the constructed crystal surface shape for a given surface packing arrangement. By comparing the images from actual AFM scans with the constructed ones for different possible surface packing arrangements, the correct packing arrangement can be conclusively determined. This approach was used in this study to determine the correct one from two possible packing arrangements on (I 10) faces of tetragonal lysozyme crystals. Another novel AFM technique was also devised to measure the dimension of individual growth units of the crystal faces. Measuring these units was not attempted before and most studies have assumed that the growth unit consisted of individual protein molecules. The linescan mode of AFM instruments allows the crystal surface to be scanned along a single line. By scanning across a growth step an image showing the motion of the step is obtained. Normally such an image shows a straight line for continuous and constant step velocity. In this study by increasing the scan rate and by decreasing the step velocity (by decreasing the supersaturation), we were able to capture images of individual growth events, shown by jump discontinuities in the step line. By suitable integration of the image the growth unit dimension in the scanned direction can be obtained. Since multiple units can be involved in the growth process it is necessary to collect a statistically relevant sample before drawing conclusions about the growth mechanism. This technique was successfully employed to obtain the dimensions of growth units for the (110) face, showing that they consisted of various aggregates corresponding to the 43 helices in the crystal structure.

Li, Huayu↗

NASA NTRS1965

Cosmic chemistry.

Chemical nature and origin of solid particles formed in primordial solar nebula, examining growth mechanism based on screw dislocations present in preplanetary nebula

INTERPLANETARY DUST↗

NASA NTRS1980

Defect structure of web silicon ribbon

The results of a preliminary study of two dendritic web samples are presented. The structure and electrical activity of the defects in the silicon webs were studied. Optical microscopy of chemically etched specimens was used to determine dislocation densities. Samples were mechanically polished, then Secco etched for approximately 5 minutes. High voltage transmission electron microscopy was used to characterize the crystallographic nature of the defects.

Cunningham, B.↗

NASA NTRS1992

Rheology of water-silicate mixtures at low temperatures

Lab studies of the effects of hard particulates on the rheology of ice have been mainly directed at the evolution of the Galilean satellites, but yield results that may be applicable to the rheology of the Martian polar caps. The experiments have explored the ductile rheology as well as brittle behavior of water + particulate (mainly quartz) mixtures in particulate volume fractions ranging from 0.001 to 0.56, particulate sizes 1 to 150 microns, temperatures 77 to 224 K, and deformation rates 3.5 x 10(exp -7) to 3.5 x 10(exp -4)/s, under confining pressures of 50 to 100 MPa. Particulates act mainly to strengthen the material in the ductile field, although work by others has shown that very close to the melting temperature hard particulates can actually cause softening. So called dispersion hardening by the Orowan mechanism of pinning glide dislocations, often exploited in metallurgy for strengthening materials, appears not to be an issue in ice except at very low temperatures, less than approx. 135 K.

Durham, William B.↗

NASA NTRSDate not supplied

Molecular dynamics simulation of effects of solutes on dislocation propagation in Ni-based superalloys

Ni-based superalloys are used in the hot sections of jet turbine engines because of their high strength, stability and resistance to oxidation. The properties of these alloys can be further optimized by adding alloying elements. Therefore, a fundamental knowledge on the effect of different elements on properties of Ni-based superalloys is required. Molecular dynamics simulation could shed light here but its application is hindered by the absence of reliable and computationally cheap semi-empirical potential of the interatomic interaction for 4 and more element alloys. We will present a new Ni-Al-Cr-Nb Finnis-Sinclair (FS) potential specially designed to simulate the dislocation propagation from to  phase. In order to construct this potential, we designed a special algorithm to incorporate the data on element partitioning in the potential development procedure. For example, it is known from experiment, that Cr is mostly present in the gamma phase. Figure 1 shows a snapshot obtained after equilibration of the model of the Ni68Al17Cr15 alloy at T=1000 K using the hybrid Monte-Carlo (MC)/molecular dynamics (MD) simulation with the developed semi-empirical potential. One can clearly see that the Cr partitioning is in agreement with the experimental data. We will discuss the developed algorithm to incorporate the solute partition data in details. Using the developed semi-empirical potential, we first investigated the effect of anti-site defects in the  phase on the single dislocation propagation. It was found that the dislocation velocity increases with the increasing of the anti-site defect concentration. This effect was attributed to smaller number of Al-Al pairs forming during the dislocation migration in the presence of the anti-site defects. Next, we investigated the effect of Nb on the dislocation pair propagation in the Kolbe mechanism. It was found that the addition of Nb leads to considerable decrease in the dislocation propagation rate. This is in agreement with the experimental data on the effect of Nb on the creep resistance of the Ni-based superalloys. We will discuss the origin of this effect.

Mikhail I. Mendelev↗

NASA NTRS1970

Dislocation and surface scattering in polycrystalline germanium films

Transport mechanism for holes in polycrystalline Ge films based on Matthiessen rule, considering surface scattering and dislocation

Bowers, T. L.↗

NASA NTRS1994

Lithospheric-scale buckling and thrust structures on Mars: The Coprates rise and south Tharsis ridge belt

Detailed photogeologic mapping documents for the first time the deformation sequence of the Coprates rise. Materials of Middle Noachian through perhaps Early Hesperian age were involved in the horizontal shortening of crustal and lithospheric rocks that produced uplift and asymmetric, east-vergent folding of these layers during the Late Noachian and perhaps Early Hesperian. Previous suggestions of normal faulting as the deforming mechanism are not supported by the new mapping or by dislocation models of rise topography. The most likely mechanism for producing the Coprates rise is folding due to buckling instability and perhaps thrust faulting. An extensive ridge belt concentric to south Tharsis is defined by a newly recognized system of approximately coeval long-wavelength topogtaphic ridges and swales that include the Coprates rise. Horizontal shortening of crust and lithosphere is manifested by periodically spaced structures at two different scales: wrinkle ridges spaced tens of kilometers apart and the south Tharsis system of ridges spaced hundreds of kilometers apart. Both types of structures may be associated with early volcanotectonic activity and crustal thickening in south Tharsis. These and other large ridges indicate that lithospheric buckling and thrust faulting may have been common on early Mars.

Schultz, Richard A.↗

NASA NTRS1998

Modeling the Growth Rates of Tetragonal Lysozyme Crystal Faces

The measured macroscopic growth rates of the (110) and (101) faces of tetragonal lysozyme show an unexpectedly complex dependence on the supersaturation. The growth rates decay asymptotically to zero when the supersaturation is lowered to zero and increase rapidly when the supersaturation is increased. When supersaturations are increased still further the growth rates attain a maximum before starting to decrease. However, growth of these crystals is known to proceed by the classical dislocation and 2D nucleation growth mechanisms. This anomaly can be explained if growth is assumed to occur not by monomer units but by lysozyme aggregates. Analysis of the molecular packing of these crystals revealed that they were constructed of strongly bonded 4(sub 3) helices, while weaker bonds were responsible for binding the helices to each other. It follows that during crystal growth the stronger bonds are formed before the weaker ones. Thus, the growth of these crystals could be viewed as a two step process: aggregate growth units corresponding to the 4(sub 3) helix are first formed in the bulk solution by stronger intermolecular bonds and then attached to the crystal face by weaker bonds on dislocation hillocks or 2D islands. This will lead to a distribution of aggregates in the solution with monomers and lower order aggregates being predominant at low supersaturations and higher order aggregates being predominant at high supersaturations. If the crystal grows mostly by higher order aggregates, such as tetramers and octamers, it would explain the anomalous dependence of the growth rates on the supersaturation. Besides the analysis of molecular packing, a comprehensive analysis of the measured (110) and (101) growth rates was also undertaken in this study. The distribution of aggregates in lysozyme nutrient solutions at various solution conditions were determined from reversible aggregation reactions at equilibrium. The supersaturation was defined for each aggregate species with respect to its concentration at saturation in order to apply growth rate models to this process. The measured growth rates were then compared with the predicted ones from several dislocation and 2D nucleation growth models, employing tetramer and octamer growth units in polydisperse solutions and monomer units in monodisperse solutions. For the (110) face, the calculations consistently showed that the measured growth rates followed the expected model relations with octamer growth units. For the (101) face, it is not possible to obtain a clear agreement between the predicted and measured growth rates for a single growth unit as done for the (110) face. However, the calculations do indicate that the average size of the growth unit is between a tetramer and an octamer. This suggests that tetramers, octamers and other intermediate size growth units all participate in the growth process for this face. These calculations show that it is possible to model the macroscopic protein crystal growth rates if the molecular level processes can be account for, particularly protein aggregation processes in the bulk solution. Our recent investigations of tetragonal lysozyme crystals employing high resolution atomic force microscopy scans have further confirmed the growth of these crystals by aggregate growth units corresponding to 4(sub 3) helices.

Li, Meirong↗

NASA NTRS1969

Metallurgical aspects of the stress corrosion cracking of titanium alloys.

Titanium alloys stress corrosion cracking /SCC/ from metallurgical-mechanical viewpoint, discussing phase transformations, dislocation arrangements, crack propagation, etc

Blackburn, M. J.↗

NASA NTRS2003

Modeling the Interactions Between Multiple Crack Closure Mechanisms at Threshold

A fatigue crack closure model is developed that includes interactions between the three closure mechanisms most likely to occur at threshold; plasticity, roughness, and oxide. This model, herein referred to as the CROP model (for Closure, Roughness, Oxide, and Plasticity), also includes the effects of out-of plane cracking and multi-axial loading. These features make the CROP closure model uniquely suited for, but not limited to, threshold applications. Rough cracks are idealized here as two-dimensional sawtooths, whose geometry induces mixed-mode crack- tip stresses. Continuum mechanics and crack-tip dislocation concepts are combined to relate crack face displacements to crack-tip loads. Geometric criteria are used to determine closure loads from crack-face displacements. Finite element results, used to verify model predictions, provide critical information about the locations where crack closure occurs.

Newman, John A.↗

NASA NTRS2013

Low Temperature Creep of Hot-Extruded Near-Stoichiometric NiTi Shape Memory Alloy: Isothermal Creep - Part I

This two-part paper is the first published report on the long term, low temperature creep of hot-extruded near-stoichiometric NiTi. Constant load tensile creep tests were conducted on hot-extruded near-stoichiometric NiTi at 300, 373 and 473 K under initial applied stresses varying between 200 and 350 MPa as long as 15 months. These temperatures corresponded to the martensitic, two-phase and austenitic phase regions, respectively. Normal primary creep lasting several months was observed under all conditions indicating dislocation activity. Although steady-state creep was not observed under these conditions, the estimated creep rates varied between 10(exp -10) and 10(exp -9)/s. The creep behavior of the two phases showed significant differences. The martensitic phase exhibited a large strain on loading followed by a primary creep region accumulating a small amount of strain over a period of several months. The loading strain was attributed to the detwinning of the martensitic phase whereas the subsequent strain accumulation was attributed to dislocation glide-controlled creep. An "incubation period" was observed before the occurrence of detwinning. In contrast, the austenitic phase exhibited a relatively smaller loading strain followed by a primary creep region, where the creep strain continued to increase over several months. It is concluded that the creep of the austenitic phase occurs by a dislocation glide-controlled creep mechanism as well as by the nucleation and growth of deformation twins.

Raj, S. V.↗