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Atomic-volume variations of (alpha)-Pu alloyed with Al, Ga, and Am from first-principles theory

Description: First-principles methods are employed to calculate the ground-state atomic densities (or volumes) of {alpha}-Pu alloyed with Al, Ga, and Am. Three configurations for the alloying atom are considered. (1) It is located at the most open and energetically most favorably site. (2) It is located in the least open site. (3) It is randomly distributed within the {alpha}-Pu matrix. When alloyed with Al or Ga, {alpha}-Pu behaves similarly, it expands considerably for configurations (2) and (3), while for (1) only small changes of the density occurs. Interestingly, for Am the alloying effects are quite different from that of Al and Ga. Small expansion is noted for the ordered configurations (1) and (2), whereas for the disordered (3), only insignificant changes of the density take place. The bonding character is thus differently influenced in Pu by the addition of Al and Ga on one hand and Am on the other. This is consistent with the view that Al and Ga stabilize the {delta} over the {alpha} phase in Pu by a different mechanism than Am, as has been discussed in recent publications.
Date: January 9, 2007
Creator: Soderlind, P; Landa, A & Wolfer, W G
Partner: UNT Libraries Government Documents Department

Dislocation-solute atom interactions in alloys. Technical progress report, February 1, 1975--January 31, 1976

Description: New results were obtained in two major project areas: (1) surface oxide softening and solute gradients in niobium and tantalum, and (2) mechanical properties of Nb--H and Nb--D alloys. The important results include: (a) observation and characterization of an extremely large softening and ductilizing effect of bcc metals (niobium and tantalum) by application of thin (500 to 1000 A) oxide films coupled with injection of a high density of mobile dislocations; (b) determination of the relative strengthening ductility changes caused by hydrogen and deuterium in niobium. (auth)
Date: October 31, 1975
Creator: Gibala, R.; Sethi, V.K. & Fournier, R.
Partner: UNT Libraries Government Documents Department

THE INFLUENCE OF NANOENGINEERED Cu DEFECTS ON ALUMINUM PITTING INITIATION

Description: Nanoengineering technologies have been used to generate well defined arrays of pure Cu islands within an Al thin film matrix in order to examine the impact of noble particle defects on the initiation of metastable pitting. The Cu particles form local galvanic cells with the surrounding Al matrix and drive metastable corrosion. Electrical isolation of the Cu particles from the Al occurs due to selective Al dissolution and appears to correlate to cessation of metastable events. Distributions of parameters related to the electrochemical signature of an event suggests that size and spacing of particles do not impact the signatures of individual events. However, event frequency data indicate that the propensity for a structure to induce localized events is linked to Cu island diameter and separation.
Date: November 1, 1999
Creator: WALL,F.D.; SON,K.A.; MISSERT,N.A.; BARBOUR,J.C.; MARTINEZ,M.A.; ZAVIDIL,K.R. et al.
Partner: UNT Libraries Government Documents Department

Influence of Mg and In on defect formation in GaN; bulk and MOCVD grown samples

Description: Transmission electron microscopy studies were applied to study GaN crystals doped with Mg. Both: bulk GaN:Mg crystals grown by a high pressure and high temperature process and those grown by metal-organic chemical-vapor deposition (MOCVD) have been studied. Structural dependence on growth polarity was observed in the bulk crystals. Spontaneous ordering (formation of polytypoids) was observed for growth in the N to Ga polar direction (N polarity). On the opposite site of the crystal (growth in the Ga to N polar direction) Mg-rich pyramidal defects with base on the basal planes and with walls inclined about 45O to these planes, empty inside (pinholes) were observed. A high concentration of these pyramidal defects was also observed in the MOCVD grown crystals. For samples grown with Mg delta doping planar defects were also observed especially at the early stages of growth followed by formation of pyramidal defects. TEM and x-ray studies of InxGa{sub 1{minus}x}N crystals for the range of 28-45% nominal In concentration shows formation of two sub-layers: strained and relaxed, with a much lower In concentration in the strained layer. Layers with the highest In concentration were fully relaxed.
Date: November 22, 2000
Creator: Liliental-Weber, Z.; Benamara, M.; Jasinski, J.; Swider, W.; Washburn, J.; Grzegory, I. et al.
Partner: UNT Libraries Government Documents Department

The embrittling/strengthening effects of hydrogen, boron, and phosphorus on a {Sigma}5 nickel grain boundary

Description: The embrittling/strengthening effects of hydrogen, boron, and phosphorus on a {Sigma}5(21O) [100]nickel grain boundary are investigated by means of the full-potential linearized augmented plane wave (FLAPW) method with the generalized gradient approximation (GGA) formula. Optimized geometries for both the free surface and grain boundary systems are obtained by atomic force calculations. The results obtained show that hydrogen and phosphorus are embrittlers and that boron acts as a cohesion enhancer. An analysis of the atomic, electronic, and magnetic structures indicates that atomic size and the bonding behavior of the impurity with the surrounding nickel atoms play important roles in determining its relative embrittling or cohesion enhancing behavior.
Date: July 1, 1999
Creator: Raynolds, J.E.; Geng, W.T.; Freeman, A.J.; Wu, R. & Geller, C.B.
Partner: UNT Libraries Government Documents Department

High temperature deformation in 2036 Al and 0.2 wt % Zr-2036 A1

Description: The microstructure and high-temperature deformation of 2036 Al and a 0.2 wt % Zr modified 2036 Al were characterized. A particle-simulated- nucleation process was applied to refine grain structure in both alloys. Thermomechanically processed materials were tested from 450 to 500 C and strain rates from 2{times}10{sup {minus}1} to 2{times}10{sup {minus}4}s{sup {minus}1}. Strain rate sensitivity exponent, activation energy, and total elongation were measured, and the deformation mechanism was proposed. Effect of Zr on microstructure and deformation of 2036 Al at elevated temperatures was discussed.
Date: November 1, 1995
Creator: Huang, J.S.; Schwartz, A.J. & Nieh, T.G.
Partner: UNT Libraries Government Documents Department

The influence of tungsten alloying on the mechanical properties of tantalum

Description: In mechanical tests of tantalum-tungsten alloys with nominal tungsten contents between 0 and 10 wt % for strain rates between 0.000016 and 6800s{sup {minus}1} and temperatures between 77 and 400 K, the addition of tungsten noticeably reduces the strain-rate dependence of the flow stress of tantalum near yield. It also subtly alters the strain-rate behavior of the work hardening, making it more like that of copper, an fcc metal. These effects are reflected in the limiting strains for uniform plastic deformation calculated from our flow curves. For unalloyed tantalum, the instability strain appears to drop dramatically for strain rates in excess of approximately 0.005s{sup {minus}1}, whereas for tungsten bearing alloys, it remains unchanged or increases slightly. Tungsten alloys may therefore be preferable to unalloyed tantalum in applications that demand substantial ductility at high rates of strain. We briefly discuss possible mechanisms for plastic flow in tantalum and how they might be affected by tungsten additions to produce the effects we observe.
Date: February 3, 1994
Creator: Gourdin, W. H.; Lassila, D. H.; LeBlanc, M. M. & Shields, A. L.
Partner: UNT Libraries Government Documents Department

Influence of tungsten alloying additions on the mechanical properties and texture of tantalum

Description: Tantalum, like all bcc metals exhibits deformation behavior substantially influenced by alloying, temperature, and strain rate. Recently, the mechanical response, in particular the high-strain-rate response, of tantalum and tantalum alloys has received increased interest for ballistic applications. In this paper recent results on the influence of tungsten alloying additions on the mechanical response and starting crystallographic texture of tantalum-tungsten alloys are presented. The stress-strain behavior of three tantalum alloys containing 2.5, 5, and 10 wt. % W has been investigated as a function of loading path, tension and compression, and strain rate, 10{sup {minus}3} to 8000 s{sup {minus}1}. The yield strength and work-hardening rate were found to increase with increasing tungsten alloying content compared to unalloyed Ta. Based on measurements of the surface and centerline textures of the Ta-W alloys, no systematic effect of tungsten content on texture was documented. However, due to variations in mechanical behavior between through-thickness and in-plane properties, a need for complete through-thickness texture measurements is indicated.
Date: December 31, 1993
Creator: Gray, G. T. III; Bingert, S. R.; Wright, S. I. & Chen, S. R.
Partner: UNT Libraries Government Documents Department

The Effect of H and He on Irradiation Performance of Fe and Ferritic Alloys

Description: This research program was designed to look at basic radiation damage and effects and mechanical properties in Fe and ferritic alloys. The program scope included a number of materials ranging from pure single crystal Fe to more complex Fe-Cr-C alloys. The range of materials was designed to examine materials response and performance on ideal/model systems and gradually move to more complex systems. The experimental program was coordinated with a modeling effort. The use of pure and model alloys also facilitated the ability to develop and employ atomistic-scale modeling techniques to understand the inherent physics underlying materials performance
Date: January 22, 2010
Creator: Stubbins, James F.
Partner: UNT Libraries Government Documents Department

A metallurgical approach toward alloying in rare earth permanent magnet systems

Description: TiC is added as an alloying agent to Nd{sub 2}Fe{sub l4}B (2-14-1) system to both alter the solidification behavior of the melt and to act as pinning sites to control grain growth. The addition of TIC to 2-14-1 results in a factor of three reduction of the quench rate required to produce amorphous material. In addition, the crystallization temperature of the glass is enhanced leading to enhanced nucleation and finer grain size during crystallization. TIC additions to the stochiometric melt affect the range of primary solidification of the 2-14-1 phase. When TIC is added to the limit of its liquid solubility, the primary solidification range is move further from the stochiometric composition to the Nd rich region.
Date: December 31, 1995
Creator: McCallum, R.W.; Willard, M.A.; Dennis, K.W.; Branagan, D.J. & Kramer, M.J.
Partner: UNT Libraries Government Documents Department

Microstructural characterization of superalloy 718 with boron and phosphorus additions

Description: Boron and phosphorus additions are known to improve the stress rupture properties of IN-718. One possible mechanism to explain this property improvement relies on the boron and phosphorus additions slowing down the growth of {gamma}{double_prime} and {gamma}{prime} precipitates during high temperature service or aging. However, atom probe analysis found no segregation of boron and phosphorus to {gamma}-{gamma}{double_prime} or to {gamma}-{gamma}{prime} interfaces in the alloys with the high boron and high phosphorus levels. No difference in growth rates were found by transmission electron microscopy in the sizes of the {gamma}{double_prime} or {gamma}{prime} in alloys with high phosphorus and high boron as compared to commercial alloys and to alloys with even lower levels of phosphorus and boron. Atom probe analysis further found that much of the phosphorus, boron, and carbon segregated to grain boundaries. Creep curves comparing the alloys with high levels of phosphorus and boron and alloys with low levels of phosphorus and boron show a large difference in strain rate in the first hours of the test. These results suggest that the boron and phosphorus may have a direct effect on dislocation mobility by some pinning mechanism.
Date: June 1, 1997
Creator: Horton, J.A.; McKamey, C.G.; Miller, M.K.; Cao, W.D. & Kennedy, R.L.
Partner: UNT Libraries Government Documents Department

Point defect concentrations and solid solution hardening in NiAl with Fe additions

Description: The solid solution hardening behavior exhibited when Fe is added to NiAl is investigated. This is an interesting problem to consider since the ternary Fe additions may choose to occupy either the Ni or the Al sublattice, affecting the hardness at differing rates. Moreover, the addition of Fe may affect the concentrations of other point defects such as vacancies and Ni anti-sites. As a result, unusual effects ranging from rapid hardening to solid solution softening are observed. Alloys with varying amounts of Fe were prepared in Ni-rich (40 at. % Al) and stoichiometric (50 at. % Al) compositions. Vacancy concentrations were measured using lattice parameter and density measurements. The site occupancy of Fe was determined using ALCHEMI. Using these two techniques the site occupancies of all species could be uniquely determined. Significant differences in the defect concentrations as well as the hardening behavior were encountered between the Ni-rich and stoichiometric regimes.
Date: August 1, 1997
Creator: Pike, L.M.; Chang, Y.A. & Liu, C.T.
Partner: UNT Libraries Government Documents Department

Manufacturing of nickel-base superalloys with improved high-temperature performance

Description: This report summarizes the results of research conducted as part of CRADA ORNL95-0327 between Oak Ridge National Laboratory and Teledyne Allvac (now Allvac, an Allegheny Teledyne Co.). The objective was to gain a better understanding of the role of trace elements in nickel-based superalloys, with the ultimate goal of enhancing performance without significantly increasing production cost. Two model superalloys, IN 718 and Waspaloy, were selected for this study, and the synergistic effects of P and B additions on creep and stress rupture properties were determined. Wherever possible the underlying physical mechanisms responsible for the observed effects were investigated.
Date: January 1, 2000
Creator: McKamey, C. G.; George, E. P.; Liu, C. T.; Horton, J. A.; Carmichael, C. A.; Kennedy, R. L. et al.
Partner: UNT Libraries Government Documents Department

The structure-property relationships of powder processed Fe-Al-Si alloys

Description: Iron-aluminum alloys have been extensively evaluated as semi-continuous product such as sheet and bar, but have not been evaluated by net shape P/M processing techniques such as metal injection molding. The alloy compositions of iron-aluminum alloys have been optimized for room temperature ductility, but have limited high temperature strength. Hot extruded powder alloys in the Fe-Al-Si system have developed impressive mechanical properties, but the effects of sintering on mechanical properties have not been explored. This investigation evaluated three powder processed Fe-Al-Si alloys: Fe-15Al, Fe-15Al-2.8Si, Fe-15Al-5Si (atomic %). The powder alloys were produced with a high pressure gas atomization (HPGA) process to obtain a high fraction of metal injection molding (MIM) quality powder (D{sub 84} < 32 {micro}m). The powders were consolidated either by P/M hot extrusion or by vacuum sintering. The extruded materials were near full density with grain sizes ranging from 30 to 50 {micro}m. The vacuum sintering conditions produced samples with density ranging from 87% to 99% of theoretical density, with an average grain size ranging from 26 {micro}m to 104 {micro}m. Mechanical property testing was conducted on both extruded and sintered material using a small punch test. Tensile tests were conducted on extruded bar for comparison with the punch test data. Punch tests were conducted from 25 to 550 C to determine the yield strength, and fracture energy for each alloy as a function of processing condition. The ductile to brittle transition temperature (DBTT) was observed to increase with an increasing silicon content. The Fe-15Al-2.8Si alloy was selected for more extensive testing due to the combination of high temperature strength and low temperature toughness due to the two phase {alpha} + DO{sub 3} structure. This investigation provided a framework for understanding the effects of silicon in powder processing and mechanical property behavior of Fe-Al-Si alloys.
Date: February 23, 1998
Creator: Prichard, P.D.
Partner: UNT Libraries Government Documents Department

The effects of hydrogen on the fracture toughness properties of upset welded stainless steel

Description: The effects of hydrogen on the fracture toughness properties of upset welded Type 304L stainless steel were measured and compared to those measured previously for as-received and as-welded steels. The results showed that the upset welded steels had good fracture toughness properties, but values were lower than the as-received material. The fracture toughness value of the base material was 6420 in-lbs/sq. in., while the welded steels averaged 3660 in-lbs/sq. in. Hydrogen exposure lowered the fracture toughness values of the as-received steel by 43 % to 3670 in-lbs/sq. in. and the welded steels by 21 % to 2890 in-lbs/sq. in. The fracture morphologies of the unexposed steels showed that ductile fracture occurred by the microvoid nucleation and growth process. The size of the microvoids on the fracture surfaces of the welded steels were much smaller and more closely spaced that those found on the base material fracture surfaces. The change in the size and spacing of the microvoids indicates that the fracture toughness properties of the welded steels were lower than the base steels because of the higher concentration of microscopic precipitates on the weld plane. The welds examined thus far have been {open_quotes}good{close_quotes} welds and the presence of these precipitates was not apparent in standard {open_quotes}low{close_quotes}-magnification metallographic sections of the weld planes. The results indicate that hydrogen did not weaken greatly the solid-state welds but that other inclusions or impurities present prior to welding did. Improvements in surface cleaning and preparation prior to welding should be explored as a way to improve the strength of solid-state welded joints.
Date: June 1, 1995
Creator: Morgan, M.T.
Partner: UNT Libraries Government Documents Department

Effects of composition and heat treatment at 1150{degrees}C on creep-rupture properties of Fe{sub 3}Al-based alloys

Description: The effects of composition and heat treatment at 1150{degrees}C on the creep-rupture properties of Fe{sub 3}Al-based alloys were studied. Tests of alloy FA-180 (Fe-28Al-5Cr-0.5Nb-0.8Mo-0.025Zr-0.05C-0.005B, at.%) with this heat treatment were performed in air using various test temperatures and stresses in order to obtain creep activation energies and constants. An activation energy for creep of approximately 150 kcal/mole was determined, value which is approximately twice that obtained earlier for the binary alloy heat treated at 750{degrees}C. Tests were also conducted on alloys containing various combinations of Cr, Mo, Nb, Zr, C, and B in order to better understand the effect of composition on the improved creep resistance with heat treating at 1150{degrees}C. The results suggest an interaction of Mo with Zr and Nb to produce increased creep life.
Date: December 1, 1995
Creator: McKamey, C. G.; Maziasz, P. J. & Marrero-Santos, Y.
Partner: UNT Libraries Government Documents Department

Effect of ternary additions on the oxidation resistance of Ti{sub 5}Si{sub 3}

Description: Refractory intermetallic silicides are receiving increasing consideration for use as high temperature structural materials. Ti{sub 5}Si{sub 3}-based compositions are attractive due to their ability to incorporate a variety of interstitial ternary additions. These ternary additions present a unique opportunity to potentially tailor physical properties. Previous experimental work has shown that these additions significantly increase the otherwise poor oxidation resistance of undoped Ti{sub 5}Si{sub 3} above 700 C. Recent experimental work by the authors on the oxidation of small atom doped Ti{sub 5}Si{sub 3} is discussed. Interstitial additions of boron, carbon, and oxygen substantially improve the isothermal oxidation resistance of Ti{sub 5}Si{sub 3} at 1,000 C. In contrast, added nitrogen does not provide significant improvement. Even up to 1,306 C, interstitial oxygen imparts excellent oxidation resistance with a mass gain of 1.1 mg/cm{sup 2} after 240 hours.
Date: October 1, 1995
Creator: Thom, A.J. & Akinc, M.
Partner: UNT Libraries Government Documents Department

Nanoindentation and nanoscratching of hard carbon coatings for magnetic disks

Description: Nanoindentation and nanoscratching experiments have been performed to assess the mechanical properties of several carbon thin films with potential application as wear resistant coatings for magnetic disks. These include three hydrogenated-carbon films prepared by sputter deposition in a H{sub 2}/Ar gas mixture (hydrogen contents of 20, 34, and 40 atomic %) and a pure carbon film prepared by cathodic-arc plasma techniques. Each film was deposited on a silicon substrate to thickness of about 300 run. The hardness and elastic modulus were measured using nanoindentation methods, and ultra-low load scratch tests were used to assess the scratch resistance of the films and measure friction coefficients. Results show that the hardness, elastic modulus, and scratch resistance of the 20 and 34% hydrogenated films are significantly greater than the 40% film, thereby showing that there is a limit to the amount of hydrogen producing beneficial effects. The cathodic-arc film, with a hardness of greater than 59 GPa, is considerably harder than any of the hydrogenated films and has a superior scratch resistance.
Date: June 1, 1995
Creator: Tsui, T.Y.; Pharr, G.M.; Oliver, W.C.; Bhatia, C.S.; White, R.L.; Anders, S. et al.
Partner: UNT Libraries Government Documents Department

Welding tritium aged stainless steel

Description: Stainless steels exposed to tritium become unweldable by conventional methods due to He buildup within the metal matrix. With longer service lives expected for new weapon systems, and service life extensions of older systems, methods for welding/repair on tritium-exposed material will become important. Results are reported that indicate that both solid-state resistance welding and low-heat gas metal arc overlay welding are promising methods for repair or modification of tritium-aged stainless steel.
Date: April 1, 1993
Creator: Kanne, W. R. Jr.
Partner: UNT Libraries Government Documents Department

Alloying effects on the high-temperature oxidation resistance of Cr-Cr{sub 2}Nb

Description: Alloying effects on the high-temperature oxidation resistance of Cr-Cr{sub 2}Nb were examined on the basis of isothermal exposures to air at 950 C. Additions of either Re and Al or Fe, Ni, and Al had relatively little effect on weight gains relative to the Cr-6% Nb binary alloy. One alloying element that improved the mechanical behavior of Cr-Cr{sub 2}Nb alloys substantially increased the oxidation rates and spallation susceptibilities of Cr-6 and -12% Nb alloys. However, the addition of another element completely offset these deleterious effects. The presence of this latter element resulted in the best overall oxidation behavior (in terms of both weight gains and spallation tendencies) of all Cr-Cr{sub 2}Nb compositions. Its beneficial effect can be attributed to improvement in the oxidation resistance of the Cr-rich phase.
Date: September 1, 1994
Creator: Tortorelli, P. F. & DeVan, J. H.
Partner: UNT Libraries Government Documents Department

Dynamic shear deformation in high purity Fe

Description: The forced shear test specimen, first developed by Meyer et al. [Meyer L. et al., Critical Adiabatic Shear Strength of Low Alloyed Steel Under Compressive Loading, Metallurgical Applications of Shock Wave and High Strain Rate Phenomena (Marcel Decker, 1986), 657; Hartmann K. et al., Metallurgical Effects on Impact Loaded Materials, Shock Waves and High Strain rate Phenomena in Metals (Plenum, 1981), 325-337.], has been utilized in a number of studies. While the geometry of this specimen does not allow for the microstructure to exactly define the location of shear band formation and the overall mechanical response of a specimen is highly sensitive to the geometry utilized, the forced shear specimen is useful for characterizing the influence of parameters such as strain rate, temperature, strain, and load on the microstructural evolution within a shear band. Additionally, many studies have utilized this geometry to advance the understanding of shear band development. In this study, by varying the geometry, specifically the ratio of the inner hole to the outer hat diameter, the dynamic shear localization response of high purity Fe was examined. Post mortem characterization was performed to quantify the width of the localizations and examine the microstructural and textural evolution of shear deformation in a bcc metal. Increased instability in mechanical response is strongly linked with development of enhanced intergranular misorientations, high angle boundaries, and classical shear textures characterized through orientation distribution functions.
Date: January 1, 2009
Creator: Cerreta, Ellen K; Bingert, John F; Trujillo, Carl P; Lopez, Mike F & Gray, George T
Partner: UNT Libraries Government Documents Department