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DOE OSTI2026

Thermodynamics of Tritium Trapping by Point Defects at Interfacial Cr-based Phases of the Al Coating

Density functional theory (DFT) simulations have been carried out to evaluate the potential for tritium trapping by metal vacancies in four phases Cr-containing phases (i.e., Cr3Si, Al0.3Cr0.7, Al8Cr5-HT, and Al8Cr5) identified near the interface between the Al coating and 316 stainless steel (316 SS) cladding. In addition, an ab initio thermodynamics approach has been employed to predict the temperature and T2-partial pressure dependence on the thermodynamics of singly tritiated defects. Key results in this work suggest that metal vacancies in the four phases have the potential to favorably trap tritium species, especially Si vacancies in Cr3Si phase. This overall thermodynamic trend can be correlated to the energy cost of having an interstitial tritium in the lattice, which has been calculated to range from 0.17 eV in Al8Cr5-HT to 0.89 eV in Cr3Si. A comparison of the results from this study with previous theoretical works investigating tritium behavior in other Fe-Al phases identified in the aluminide coating, suggests that metal vacancies are generally able to trap tritium in various Fe-Al aluminide phases. Especially, it was found that Si and Al vacancies would be the most efficient to trap for tritium, followed by Cr vacancies, then Fe and Ni vacancies. In the four Cr-based material phases investigated in this work, it is interesting to note that, in the absences of Fe or Ni species, strong interactions between tritium and the metal vacancies are always occurring by the formation of preferential Cr—T bonds (i.e., no Si—T or Al—T bonds were formed).

Sassi, Michel J.↗

NASA NTRS1977

Phase relations in the Fe-Ni-Cr-S system and the sulfidation of an austenitic stainless steel

The stability fields of various sulfide phases that form on Fe-Cr, Fe-Ni, Ni-Cr and Fe-Cr-Ni alloys were developed as a function of temperature and the partial pressure of sulfur. The calculated stability fields in the ternary system were displayed on plots of log P sub S sub 2 versus the conjugate extensive variable which provides a better framework for following the sulfidation of Fe-Cr-Ni alloys at high temperatures. Experimental and estimated thermodynamic data were used in developing the sulfur potential diagrams. Current models and correlations were employed to estimate the unknown thermodynamic behavior of solid solutions of sulfides and to supplement the incomplete phase diagram data of geophysical literature. These constructed stability field diagrams were in excellent agreement with the sulfide phases and compositions determined during a sulfidation experiment.

Jacob, K. T.↗

NASA NTRS1980

Research on CR-39 plastic detectors for cosmic ray astrophysics

The sensitivity of CR-39 is a strong function of catalyst concentration during its polymerization. Normal CR-39 will detect vertically incident particles with Z/beta as low as 10. An extrapolation suggests that CR-39 with a high catalyst concentration and sensitivity to within approximate 5% can be made by a suitable choice of cure cycle and mold material. CR-39 is less sensitive than Lexan to thermal annealing of tracks but cannot tolerate background radiation levels greater than a few Mrad.

Price, P. B.↗

NASA NTRS1982

Eutectic equilibria in the quaternary system Fe-Cr-Mn-C

The constitution of the quaternary system, Fe-Cr-Mn-C and to a lesser extent of the quinary system, Fe-Cr-Mn-Al-C were examined for in situ composite alloy candidates. Multivariant eutectic compositions were determined from phase equilibria studies wherein M7C3 carbides (approximately 30% by volume) formed from the melt within gamma iron. An extended field of the hexagonal carbide, (Cr, Fe, Mn)7 C3, was found without undergoing transformation to the orthorhombic structure. Increasing stability for this carbide was found for higher ratios of Cr/Fe(+) Cr + Mn. Aluminum additions promoted a ferritic matrix while manganese favored the desired gamma austenitic matrix. In coexistence with the matrix phase, chromium enters preferentially the carbide phase while manganese distributes equally between the gamma matrix and the M7C3 carbide. The composition and lattice parameters of the carbide and matrix phases were determined to establish their respective stabilities.

Nowotny, H.↗

NASA NTRS1987

Interdiffusion in Ni-rich, Ni-Cr-Al alloys at 1100 and 1200 C. I - Diffusion paths and microstructures. II - Diffusion coefficients and predicted concentration profiles

Interdiffusion in Ni-rich Ni-Cr-Al alloys is investigated experimentally after annealing at 1100 and 1200 C using gamma/gamma, gamma/gamma+beta, gamma/gamma+gamma prime, and gamma/gamma+alpha diffusion couples. The amount and location of Kirkendall porosity suggests that Al diffuses more rapidly than Cr which diffuses more rapidly than Ni in the gamma phase of Ni-Cr-Al alloys. The location and extent of maxima and minima in the concentration profiles of the diffusion couples indicate that both cross-term diffusion coefficients are positive. Measurements are also presented of the ternary interdiffusion coefficients of the gamma phase in the Ni-Cr-Al system. It is shown that the interdiffusion coefficients can be accurately predicted by using a ternary finite-difference interdiffusion model.

Nesbitt, J. A.↗

NASA NTRS1988

Iron-base superalloys - A phase analysis of the multicomponent system (Fe-Mn-Cr-Mo-Nb-Al-Si-C)

In the course of studies on the iron-rich multicomponent system Fe-Mn-Cr-Mo-Nb-Al-Si-C, work was concentrated on pertinent quinary and six-component combinations namely Fe-Mn-Al-Si-C, Fe-Cr-Al-Si-C and Fe-Mn-Cr-Al-Si-C which had been elaborated at 65, 72, and 80 wt pct Fe. Manganese acts as a strong stabilizer for the cementite carbide. Chromium seems to stabilize the iron aluminide Fe2Al5 which forms in a considerable amount within an alloy of nominal composition Fe(65)Mn(15)Cr(12)Al(5)Si(2)C(1) (percent by weight). Although the Mn3AlC carbide is, like Fe3AlC, a perovskite carbide, manganese does not appear to favor the formation of the perovskite carbide. Because of the relatively low sintering temperature (700 C), for al large portion of the samples equilibria conditions are not always reached.

Gupta, H.↗

NASA NTRS1989

V, Cr, and Mn in the earth, moon, EPB, and SPB and the origin of the moon - Experimental studies

The abundances of V, Cr, and Mn inferred for the mantles of the earth and moon decrease in that order and are similar in both mantles (but distinct from those in the mantles of the Eucrite Parent Body and Shergottite Parent Body), suggesting a common origin for the mantles of the earth and the moon. This hypothesis was investigated on the basis of a comparison between the depletions of V, Cr, and Mn in the mantles of the earth and the moon, and the metal/silicate partition coefficients of these elements at 1260 C and 1 bar pressure among a S-bearing metallic liquid, a silicate melt, and a FeNi alloy. It was found that the earth and the moon depletions of V, Cr, and Mn are not correlated with metal/silicate partition coefficients; the V and Cr partitioned into S-rich metallic liquids under reducing conditions more strongly than Mn, consistent with the relative volatilities of these elements. This indicates that the depletion patterns of these elements in the mantles of the earth and moon cannot be attributed primarily to terrestrial core formation.

Drake, Michael J.↗

NASA NTRS1989

Spectroscopic investigation of Cr to Tm energy transfer in yttrium aluminum garnet crystals

A series of experiments has been conducted in order to examine the nature of the energy transfer process between the Cr(3+) and Tm(3+) ions in YAG. Data are obtained on various samples doped with Cr(3+) and/or Tm(3+). These data include absorption, luminescence, excitation spectra and time-resolved response to pulsed excitation. The measurements were carried out over a range of temperatures from 78 to 350 K. The rate of nonradiative energy transfer from Cr(3+) to Tm(3+) depends on temperature, and in the region from 200 to 350 K, this dependence is due primarily to the thermal variation in the radiative decay probability of the Cr ion.

Armagan, G.↗

NASA NTRS1990

Laser performance, thermal focusing and depolarization effects in Nd:Cr:GSGG and Nd:YAG

The laser performance of Nd:Cr:GSGG and Nd:YAG was investigated and compared for laser efficiency, thermal focusing, and depolarization effects. Laser efficiency was studied for Nd:Cr:GSGG and Nd:YAG under similar conditions. Laser efficiency was measured as a function of electrical energy and output mirror reflectivity. Maximum laser efficiency was calculated by determining the losses in the laser cavity. Thermal focusing and birefringence loss of Nd:Cr:GSGG and Nd:YAG have been examined by varying the average pump power. The average pump power changed by adjusting both the energy per pulse and the pulse-repetition frequency. Substantial thermal focusing differences for Nd:Cr:GSGG are explained.

Williams-Byrd, Julie A.↗

NASA NTRS1991

Spectral features of a new crystal - Cr:KTP and its potential application for self-frequency doubling

The paper describes a technique for growing Cr-doped single crystals of KTiOPO4 (Cr:KTP) and presents the spectral characteristics, lasing potential, and SHG properties of Cr:KTP. It is shown that the use of Cr:KTP as a lasing medium is potentially promising due to the combination of the wide spectral bandwidth and reasonable gain. The potential application of the crystal for self frequency doubling is discussed.

Chou, Nee-Yin↗

NASA NTRS1993

Oxygen isotopic relationships between the LEW85332 carbonaceous chondrite and CR chondrites

LEW85332, originally described as a unique C3 chondrite, was shown to be a C2 chondrite with important linkages to the CR clan. An important petrologic aspect of LEW85332 is that it contains anhydrous chondrules and hydrated matrix, and new oxygen isotopic data on chondrules, matrix and whole rock are consistent with the petrology. Chondrules fall on the equilibrated chondrite line (ECL), with a slope near 1, which goes through ordinary chondrite chondrules. This contrasts with the CR chondrule line which has a lower slope due to hydrated components. LEW85332 chondrules define a new carbonaceous chondrite chondrule line, parallel to the anhydrous CV chondrule line (CCC), consistent with the well-established concept of two oxygen isotopic reservoirs. Matrix and whole rock fall on the CR line. The whole rock composition indicates that the chondrite is dominated by chondrules, and that most of them contain light oxygen similar to that of anhydrous olivine and pyroxene separates in the Renazzo and Al Rais CR chondrites.

Prinz, M.↗

NASA NTRS1993

Effect of hydrogen exposure on a Cu-8 Cr-4 Nb alloy

The advanced regeneratively cooled rocket thrust chamber may require new materials to achieve long life and improved performance. Current materials such as NARloy-Z (Cu-3 wt. percent Ag-0.5 wt. percent Zr), while highly conductive, do not have sufficient high temperature strength and creep resistance to meet the projected needs of advanced rocket motors. A Cu-8 at. percent Cr-4 at. percent Nb (Cu-8 Cr-4 Nb) alloy has been identified as a promising material for this application. However, hydrogen embrittlement is a concern given the presence of high pressure, high temperature hydrogen in regeneratively cooled rocket motors. Thermodynamic analysis of the reaction between Cr-rich Cr2Nb and H2 showed that there is a possibility of reaction at temperatures up to 323 K in a 35 MPa H2 environment. Above 323 K the pressure necessary to achieve reaction rapidly increased beyond the range experienced in rocket motors. Tensile specimens exposed in 34.5 MPa H2 at room temperatures and during cycling to 705 C did not show any degradation of properties. No evidence of reaction was observed for Cr2Nb precipitate observed on the fracture surfaces. Based on these results the Cu-8 Cr-4 Nb alloy was judged to be sufficiently stable for use in rocket motors.

David L Ellis↗

NASA NTRS1995

A new Cu-8 Cr-4 Nb alloy for high temperature applications

Various applications exist where a high conductivity alloy with good strength and creep resistance are required. NASA LeRC has developed a Cu-8 at. percent Cr-4 at. percent Nb (Cu-8 Cr-4 Nb) alloy for these applications. The alloy is designed for use up to 700 C and shows exceptional strength, low cycle fatigue (LCF) resistance, and creep resistance. Cu-8 Cr-4 Nb also has a thermal conductivity of at least 72 percent that of pure Cu. Furthermore, the microstructure and mechanical properties of the alloy are very stable. In addition to the original application in combustion chambers, Cu-8 Cr-4 Nb shows promise for welding electrodes, brazing fixtures, and other applications requiring high conductivity and strength at elevated temperatures.

Ellis, D. L.↗

NASA NTRS2003

Antiproton Production by CR on Air Nuclei

Recent measurements of the cosmic ray (CR) antiproton flux have been shown to challenge existing CR propagation models. In particular, the conventional reacceleration model designed to match secondary/primary nuclei ratios produces too few antiprotons. Recently there appear some indications that the atmospheric contribution to antiproton production is considerably underestimated, which implies that antiproton CR flux might be lower. This may be the primary reason of the discrepancy discovered in CR propagation. We use the Los Alamos version of the Quark-Gluon String Model code LAQGSM together with available data on antiproton production on nuclei to analyse the accuracy of existing parameterizations of antiproton production cross section. The LAQGSM model has been shown to reproduce well nuclear reactions and hadronic data in the range 0.01-800 GeV/nucleon.

Maskalenko, I. V.↗

NASA NTRS2003

GALPROP: New Developments in CR Propagation Code

The numerical Galactic CR propagation code GALPROP has been shown to reproduce simultaneously observational data of many kinds related to CR origin and propagation. It has been validated on direct measurements of nuclei, antiprotons, electrons, positrons as well as on astronomical measurements of gamma rays and synchrotron radiation. Such data provide many independent constraints on model parameters while revealing some contradictions in the conventional view of Galactic CR propagation. Using a new version of GALPROP we study new effects such as processes of wave-particle interactions in the interstellar medium. We also report about other developments in the CR propagation code.

Moskalenko, I. V.↗

NASA NTRS2004

The Influence of Tungsten on the Chemical Composition of a Temporally Evolving Nanostructure of a Model Ni-Al-Cr Superalloy

The influence of W on the temporal evolution of gamma' precipitation toward equilibrium in a model Ni-Al-Cr alloy is investigated by three-dimensional atom-probe (3DAP) microscopy and transmission electron microscopy (TEM). We report on the alloys Ni-10 Al-8.5 Cr (at.%) and Ni-10 Al-8.5 Cr-2 W (at.%), which were aged isothermally in the gamma + gamma' two-phase field at 1073 K, for times ranging from 0.25 to 264 h. Spheroidal-shaped gamma' precipitates, 5-15 nm diameter, form during quenching from above the solvus temperature in both alloys at a high number density (approx. 10(exp 23/cu m). As gamma' precipitates grow with aging at 1073 K, a transition from spheriodal- to cuboidal-shaped precipitates is observed in both alloys. The elemental partitioning and spatially resolved concentration profiles across the gamma' precipitates are obtained as a function of aging time from three-dimensional atom-by-atom reconstructions. Proximity histogram concentration profiles of the quaternary alloy demonstrate that W concentration gradients exist in gamma' precipitates in the as-quenched and 0.25-h aging states, which disappear after 1 h of aging. The diffusion coefficient of W in gamma' is estimated to be 6.2 x 10(exp -20) sq m/s at 1073 K. The W addition decreases the coarsening rate constant, and leads to stronger partitioning of Al to gamma' and Cr to gamma.

Sudbrack, Chantal K.↗

NASA NTRS2006

Experimental Partitioning of Cr(3+) and Sc(3+) into Olivine: Mechanisms and Implications

Olivine (Mg, Fe)Si2O4 does not, by stoichiometry, accept cations such as Sc(3+) or Cr(3+). However, the partition coefficients of Sc and Cr between olivine and liquid are significant 0.2-1.0. We have measured Cr(3+) partition coefficients of near unity and have grown olivines with nearly 3 wt.% Sc2O3. Therefore, there must be a simple means of charge balancing 3+ ions in a crystal structure that was obviously not designed to receive other than 2+ ions on the olivine M sites. The simplest explanation is that two 3+ ions enter the olivine structure by displacing three 2+ ions and creating an M site vacancy. Even this explanation has difficulties. For minor elements in our experiments (~1 wt.%) the odds of a minor element 3+ ion finding a second 3+ for charge balance are of the order of 100:1 against. Because of the reducing conditions of our experiments, Fe(3+) will not suffice; and Al(3+) is not in sufficient quantity in olivine for charge balance. Therefore, Cr or Sc must, in effect, charge balance itself. For true trace elements, the problem is compounded many times. For an ion at the 10 ppm level the chances of finding a second (for example) Sc ion is approx.10(exp 5):1 against. Of course, any other 3+ ion would suffice but comparisons between percent level doping experiments and trace level partitioning indicate that Henry s law is obeyed. This implies that the same substitution mechanism occurs at both the percent and tens of ppm levels. There are two simple solutions to this problem: (i) The electrical conductivity of olivine is such that charge balance need not be local. This requires substantial domains within the olivine crystal in electrical contact by migration of vacancies or electronic defects. (ii) The 3+ cation brings along its own charge-balancing ion because it existed as a dimer in the silicate liquid. Olivine is not a true insulator but is actually a p-type semiconductor. Even so, electrical communication by this means is unlikely over the tens or hundreds of unit cells that would be required for charge balance to be local. Therefore, we cautiously favor the idea that melt speciation is the means by which 3+ ions enter the olivine structure. Possibly this model might be tested by in situ XAFS measurements or by molecular dynamical calculations.

Jones, John↗

NASA NTRS2013

Evidence for Extended Aqueous Alteration in CR Carbonaceous Chondrites

We are currently studying the chemical interrelationships between the main rockforming components of carbonaceous chondrites (hereafter CC), e.g. silicate chondrules, refractory inclusions and metal grains, and the surrounding meteorite matrices. It is thought that the fine-grained materials that form CC matrices are representing samples of relatively unprocessed protoplanetary disk materials [1-3]. In fact, modern non-destructive analytical techniques have shown that CC matrices host a large diversity of stellar grains from many distinguishable stellar sources [4]. Aqueous alteration has played a role in homogeneizing the isotopic content that allows the identification of presolar grains [5]. On the other hand, detailed analytical techniques have found that the aqueously-altered CR, CM and CI chondrite groups contain matrices in which the organic matter has experienced significant processing concomitant to the formation of clays and other minerals. In this sense, clays have been found to be directly associated with complex organics [6, 7]. CR chondrites are particularly relevant in this context as this chondrite group contains abundant metal grains in the interstitial matrix, and inside glassy silicate chondrules. It is important because CR are known for exhibiting a large complexity of organic compounds [8-10], and only metallic Fe is considered essential in Fischer-Tropsch catalysis of organics [11-13]. Therefore, CR chondrites can be considered primitive materials capable to provide clues on the role played by aqueous alteration in the chemical evolution of their parent asteroids.

Trigo-Rodriquez, J. M.↗