SEARCH · Search NASA
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
CrAs is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent As3- atoms to form a mixture of face, edge, and corner-sharing CrAs6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Cr–As bond distances ranging from 2.48–2.59 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Cr3+ atoms.
CrAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent As3- atoms to form a mixture of corner, edge, and face-sharing CrAs6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cr–As bond lengths are 2.53 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Cr3+ atoms.
Sr(CrAs)2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Sr–As bond lengths are 3.38 Å. Cr2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing CrAs4 tetrahedra. All Cr–As bond lengths are 2.45 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Cr2+ atoms.
Ba(CrAs)2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.50 Å. Cr2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CrAs4 tetrahedra. All Cr–As bond lengths are 2.45 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four equivalent Cr2+ atoms.
Not Available
Quantitatively predicting the corrosion resistance of alloys is vital to the design and application of the next generation of superior corrosion resistant alloys (CRAs). Here, the Chloride Susceptibility Index (CSI), a scientifically based quantitative descriptor for repassivation tendency of CRAs, is proposed as a metric constructed through combining atomistically resolved information regarding adsorption and alloy surface composition with environmental conditions such as applied potential, temperature, pH, and Cl – concentration. Using this method, the response of CRAs to relevant environments can be predicted. CSI is determined by: (1) estimation of thermoequilibrium surface coverages of O and Cl by a Langmuir isotherm model using adsorption energies of different species (O, Cl, OH, H 2 O) obtained from DFT. (2) determination of CSI by integrating Cl surface coverage over a realistic window of applied potentials, thereby incorporating the effect of Cl surface coverage and electrochemical environment simultaneously. A series of Ni-Cr-X alloys was used as an example to develop and validate the method through studying the effect of different alloy solutes X on chloride resistance. Here, the trends and relations predicted by CSI are in qualitative agreements with experimental observations. Moreover, a quantitative correlation is found between CSI and the repassivation potential.
The transition-metal pnictide system MX (M = transition metal and X = P, As, and Sb) has been studied for several decades because those materials show rich magnetic phase diagrams. Since the recent discovery of unconventional superconductivity in isomorphic CrAs and MnP under high pressures, physical properties of the two materials have been investigated intensively as a function of pressure. In particular, since both materials exhibit quantum critical behavior with applied pressure, magnetic fluctuations are considered to be the key to the superconducting pairing mechanism. Interestingly, both materials were found to show double helical spin structures in the vicinity of the pressure-induced superconducting phase. Here, a review is given on the magnetic properties of MX, including our high-pressure neutron scattering studies performed in CrAs and MnP. We also give a brief review on technical developments of high pressure cells for neutron diffraction, including the high pressure cells used for our high pressure measurements in CrAs and MnP.
Wide-area protection scheme (WAPS) provides system-wide protection by detecting and mitigating small and large-scale disturbances that are difficult to resolve using local protection schemes. As this protection scheme is evolving from a substation-based distributed remedial action scheme (DRAS) to the control center-based centralized RAS (CRAS), it presents severe challenges to their cybersecurity because of its heavy reliance on an insecure grid communication, and its compromise would lead to system failure. This article presents an architecture and methodology for developing a cyber-physical anomaly detection system (CPADS) that utilizes synchrophasor measurements and properties of network packets to detect data integrity and communication failure attacks on measurement and control signals in CRAS. The proposed machine leaning-based methodology applies a rules-based approach to select relevant input features, utilizes variational mode decomposition (VMD) and decision tree (DT) algorithms to develop multiple classification models, and performs final event identification using a rules-based decision logic. Here, we have evaluated the proposed methodology of CPADS using the IEEE 39 bus system for several performance measures (accuracy, recall, precision, and F-measure) in a cyber-physical testbed environment. Furthermore, our experimental results reveal that the proposed algorithm (VMD-DT) of CPADS outperforms the existing machine learning classifiers during noisy and noise-free measurements while incurring an acceptable processing overhead.
To understand the mechanism of repassivation, a key process that controls the performance of corrosion resistant alloys (CRAs), it is useful to obtain some fundamental parameters that describe the atomistic processes. Oxygen and chlorine adsorption energies were systematically calculated with density functional theory for Ni-22Cr alloys with seven different solute elements: Co, Cu, Fe, Mn, Mo, Ru and W. All elements other than Cu enhance both O and Cl adsorption to alloy surfaces. Cr has the strongest effect among these elements. Surface configurations that give stronger O adsorption also tend to give stronger Cl adsorption. While this makes it difficult to differentiate the effect of these solute elements on the oxidation/repassivation tendency of alloys, these fundamental properties provide the foundation for higher scale models that could be used to study the oxidation process during corrosion and potentially inform the design of CRAs. Bader charge analysis reveals a strong relationship between the adatom adsorption energy and the Bader charges of both O and Cl adatom. In conclusion, the work function of alloy surfaces is increased by O while decreased by Cl, suggesting that Cl adsorption can have an intrinsic negative impact on corrosion resistance by decreasing the barrier to electron transfer.
Regional differences in crater retention ages (CRAs) across the Mars dichotomy boundary are compared to the global highland-lowland age difference previously determined from visible and buried impact basins based on MOLA-derived Quasi-Circular Depressions (QCDs). Here Western Arabia (WA) is compared with Ismenius Lacus (IL). We find the buried lowlands in the two regions have total CRAs essentially identical to the global average. Even more intriguing, the WA cratered terrain appears to have a CRA like that of the adjacent buried lowlands,
For more than a decade we have used GRIDVIEW to help analyze topographic and related data for Mars and more recently for the Moon. Our focus has been to employ the stretching, contouring, profiling, circle-fitting and other capabilities of GRIDVIEW to search for Quasi-Circular Depressions (CTAs) in MOLA, LOLA and other topographic data, and for Circular Thin Areas (CTAs) in Mars and Moon model crustal thickness data. Both QCDs and CTAs likely represent buried or obscured impact craters not readily visible in image data. We found clear evidence for a much larger population of buried impact craters in the northern lowlands of Mars (Frey et al. 2002), suggesting that part of the Red Planet is not significantly younger than the southern highlands. Edgar and Frey (2008) found that the N(300) crater retention ages of both areas were essentially identical, a conclusion confirmed by Wyatt (unpublished data) using more recent crustal thickness data for Mars. MOLA topographic data and MOLA-derived crustal thickness data were used to both identify a large number of previously unrecognized very large impact basins (D> 1000 km) on Mars and to determine relative crater retention ages for them (Frey, 2008). The distribution of N(300) CRAs suggested most formed in a relatively short interval of time. This dating also suggested the main magnetic field of Mars disappeared during this period (Lillis et al., 2008), because only the youngest basins systematically lack a remagnetized signature. Similar QCD and CTA analysis of first Clementine (Frey, 2011) and more recently LOLA topographic and LOLA-derived crustal thickness data for the Moon (Frey et al., 2011) revealed a significantly larger population of impact basins > 300 km in diameter than previously known. N(50) CRAs suggest a two-peak distribution of ages (Frey, 2012). An improved counting process confirms the two peaks, perhaps indicating both a pre-Nectaris Early Heavy Bombardment (EHB) as well as a Late Heavy Bombardment (LHB) on the Moon (Frey and Burgess, 2012, this meeting), with obvious implications for the early bombardment history of the Earth.
LOLA topography and LOLA-derived crustal thickness data provide evidence for a population of impact basins on the Moon that is likely a factor 2 larger than the classical lists based on photogeology. Frey (2012) determined N(50) crater retention ages (CRAs) for 83 candidate basins > 300 km in diameter by counting LOLA-identified craters superimposed over the whole area of the basins. For some basins identified in topography or model crustal thickness it is not possible to unambiguously identify the crater rim as is traditionally done. Also, Quasi-Circular Depressions (QCDs) > 50 km in diameter are recognizable in the mare-filled centers of many basins. Even though these are not apparent in image data, they likely represent buried impact craters superimposed on the basin floor prior to mare infilling and so should be counted in determining the age of the basin. Including these as well as the entire area of the basins improves the statistics, though the error bars are still large when using only craters > 50 km in diameter. The distribution of N(50) CRAs had two distinct peaks which did not depend on whether the basins were named (based on photogeology) or recognized first in topography or crustal thickness data. It also did not depend on basin diameters (both larger and smaller basins made up both peaks) and both peaks persisted even when weaker candidates were excluded. Burgess (2012, unpublished data) redid the counts for 85 basins but improved on the earlier effort by adjusting the counting area where basins overlap. The two peak distribution of N(50) ages was confirmed, with a younger peak at N(50) ~ 40-50 and an older peak at N(50) ~ 80-90 (craters > 50 km diameter per million square km). We suggest this could represent two distinct populations of impactors on the Moon: one producing an Early Heavy Bombardment (EHB) that predates Nectaris and the second responsible for the more widely recognized Late Heavy Bombardment (LHB).
Abstract Corrosion is an electrochemical phenomenon. It can occur via different modes of attack, each having its own mechanisms, and therefore there are multiple metrics for evaluating corrosion resistance. In corrosion resistant alloys (CRAs), the rate of localized corrosion can exceed that of uniform corrosion by orders of magnitude. Therefore, instead of uniform corrosion rate, more complex electrochemical parameters are required to capture the salient features of corrosion phenomena. Here, we collect a database with an emphasis on metrics related to localized corrosion. The six sections of the database include data on various metal alloys with measurements of (1) pitting potential, E pit , (2) repassivation potential, E rp , (3) crevice corrosion potential, E crev , (4) pitting temperature, T pit , (5) crevice corrosion temperature, T crev , and (6) corrosion potential, E corr , corrosion current density, i corr , passivation current density, i pass , and corrosion rate. The experimental data were collected from 85 publications and include Al- and Fe-based alloys, high entropy alloys (HEAs), and a Ni-Cr-Mo ternary system. This dataset could be used in the design of highly corrosion resistant alloys.
The effects of Ni, Cr, Mn and Mo on the very earliest stages of repassivation of stainless steels are quantified using the Chloride Susceptibility Index (CSI), which is an ab initio-based index for the evaluation of repassivation tendency. The quinary system of Fe-Ni-Cr-Mn-Mo is studied with density functional theory analysis and an electrochemisorption model developed previously by the authors, which are required to determine the CSI. The adsorption energies of O and Cl to different surface configurations are calculated, and then surface coverage maps of different species on the surface are obtained from the adsorption energies based on the Langmuir isotherm. Finally, CSI is calculated for different compositions of stainless steels. It is found that the effect of alloying elements on promoting repassivation of Fe alloys is in the order of Mn > ≈Ni > Cr > Mo when solute composition is less than 28 wt.%. A strong synergy is found between Cr and Mo such that a combination of these two elements at a certain ratio can give an optimal (low) CSI. Here, the usage of CSI for evaluating repassivation tendency of CRAs is validated by experimental measured repassivation potential, which shows a strong monotonic negative relation with CSI.
Presence of different, non-constituent gases may be a critical factor in crystal growth systems. In Physical Vapor Transport processes the cras(es) can be used intentionally (to prevent excessively high, unstable growth conditions), or can evolve unintentionally during the course of the process (which may lead to undesired reduction in the -rowth rate). In melt growth, particularly under low gravity conditions (reduced hydrostatic pressure) the gas present in the system may contribute to formation of voids in the growing crystals and even to a separation of the crystal and the liquid phase [1]. On the other hand, some amount of gas may facilitate 'contactless' crystal growth particularly under reduced gravity conditions [2 - 6]. Different non-constituent gases may be present in growth ampoules, and their amount and composition may change during the crystallization process. Some gases can appear even in empty ampoules sealed originally under high vacuum: they may diffuse in from the outside, and/or desorb from the ampoule walls. Residual gases can also be generated by the source materials: even very high purity commercial elements and compounds may contain trace amounts of impurities, particularly oxides. The oxides may have low volatilities themselves but their reaction with other species, particularly carbon and hydrogen, may produce volatile compounds like water or carbon oxides. The non-constituent gases, either added initially to the system or evolved during the material processing, may diffuse out of the ampoule during the course of the experiment. Gases present outside (e.g. as a protective atmosphere or thermal conductor) may diffuse into the ampoule. In either case the growth conditions and the quality of the crystals may be affected. The problem is of a particular importance in sealed systems where the amount of the gases cannot be directly controlled. Therefore a reasonable knowledge and understanding of the origin, composition, magnitude, and change with time of gases present in sealed ampoules may be important for a meaningful control and interpretation of crystal growth processes. This problem is of a particular importance for processing of electronic materials in space because (i) safety considerations require using sealed systems only, and (ii) high cost of crystal growth experiments in microgravity calls for a throughout, accurate description of the processing conditions necessary for a meaningful, efficient, and conclusive interpretation of the space results. In this paper we present the results of our extensive studies on gases in closed crystal growth systems which include: (a) Degassing properties of fused silica; (b) Generation of inert gases by source materials (CdTe, ZnTe, CdZnTe, ZnSe, PbTe, PbSe, PbSeTe); (c) Diffusive cas losses from silica glass ampoules.
Evidence supporting an intense early bombardment on the Moon in addition to the traditional Late Heavy Bombardment at approx. 4 BY ago include the distribution of N(50) Crater Retention Ages (CRAs) for candidate basins, a variety of absolute age scenarios for both a "young" and an "old" Nectaris age, and the decreasing contrasts in both topographic relief and Bouguer gravity with increasing CRA.
Abstract not provided