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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Thermodynamics-guided alloy and process design for additive manufacturing

In conventional processing, metals go through multiple manufacturing steps including casting, plastic deformation, and heat treatment to achieve the desired property. In additive manufacturing (AM) the same target must be reached in one fabrication process, involving solidification and cyclic remelting. The thermodynamic and kinetic differences between the solid and liquid phases lead to constitutional undercooling, local variations in the solidification interval, and unexpected precipitation of secondary phases. These features may cause many undesired defects, one of which is the so-called hot cracking. The response of the thermodynamic and kinetic nature of these phenomena to high cooling rates provides access to the knowledge-based and tailored design of alloys for AM. Here, we illustrate such an approach by solving the hot cracking problem, using the commercially important IN738LC superalloy as a model material. The same approach could also be applied to adapt other hot-cracking susceptible alloy systems for AM.

36 MATERIALS SCIENCE↗
NASA NTRS1998

[Activities of Space Telescope Science Institute with the Hubble Space Telescope]

A number of studies, especially in recent years with the Hubble Space Telescope's (HST) Goddard High Resolution Spectrograph (GHRS), have been presented on the UV line profiles of late-type stars. Generally, these consist of a few "snapshot" spectra of several different key diagnostic emission lines. From this it has become clear that many active stars possess non-gaussian line profiles. Unlike the case with AR Lac, observed with IUE, no assymetric profile has been clearly identified that results from an inhomogeneous surface temperature or density distribution. In 1993 we attempted to observe the RS CVn binary V711 Tau at several phases with the GHRS in a number of UV bandpasses in order to study profile variations as a function of phase. Unfortunately, scheduling problems, pointing errors, continuous flaring and the sparse and uneven phase sampling prevented us from achieving the primary goal. However, it is clear that a number of UV lines in the system, notably C IV, Si IV and Mg II show very extended emission out to several hundred km/s. The profiles were also clearly variable. Vilhu et al. (1997) and Walter et al. (1995) conducted a campaign on the rapidly rotating, single star AB Dor, where they observed C IV continuously for 14 hours. They found extended, non-gaussian emission in the C IV doublet and that Doppler images derived from these images were remarkably similar to the simultaneous spot-image. In a follow up study of V711 Tau we have observed another RS CVn with complete phase coverage in three key wavelength bandpasses, utilizing the ability of HST to observe some stars at high latitudes in uninterrupted fashion. Generally classified as an RS CVn, V824 Ara (HD 155555) consists of a G5 IV star in a short period orbit (P=ld.68) with a K0 V-IV companion. However, the system does not eclipse and therefore does not rigorously fit the Hall (1976) definition. There is also a visual M star companion (LDS587B) 33 arcsec away. The space velocities of the stars suggests that the binary is part of the young disk population which agrees with the high Li I lambda 6708 abundance. With the M star companion showing very high levels of activity it seems likely that the V824 Ara +LDS587B system is pre-main sequence. With rotational velocities of 37 km/s and 29 km/s for the G and K star components respectively, the system is very similar to V711 Tau. Photometric observations by Cutispoto (1993) show an amplitude, delta V approx. = 0.12 with a period equal to the orbital value derived by Pasquini et at. (1991). Dempsey et al. (1993a) found a PSPC X-ray luminosity of 2.74 x 10(exp 30)erg/s. Two-temperature coronal models were applied to the PSPC X-ray pulse-height spectra by Dempsey et al. (1993b). They found that the lower temperature component was consistent with the full sample of RS CVn binaries studied but that the hot component was slightly lower than the sample as a whole. Moderate Ca II H and K emission, filled in H alpha and radio emission are also consistent with this being a fairly active, short period binary system.

Dempsey, Robert C.↗
NASA NTRS2011

External Payload Carrier (XPC) A Suborbital Research Platform

This slide presentation details the concept of an External Payload Carrier (XPC), that can fly on ann unused Solid Rocket Booster (SRB) location on the Atlas V rocket to suborbital environment. The XPC can be used anytime there is sufficient excess lift capability available. The dimensions and possible uses of the XPC are reviewed. The completed Phase 1 study reviewed 57 variations, and arrived at three viable configurations, identified design baselines, subsystems and preliminary testing requirements. Phase II effort is planned to produce the preliminary design (i.e., PDR level), Systems Requirements Document (SRD), identify flight candidates, develop schedule and funding profiles, and identify the risk-reduction activities.

Schallhorn, Paul↗
NASA NTRS2019

Detailed Infrared Study of Amorphous to Crystalline Propionitrile Ices Relevant to Observed Spectra of Titan's Stratospheric Ice Clouds

We have conducted a comprehensive study of propionitrile (C2H5CN) ice from the amorphous to crystalline phase in order to provide detailed information on this specific cyanide, which may potentially contribute to the chemical composition of the Haystack ice cloud observed in Titan's stratosphere by the Cassini Composite InfraRed Spectrometer (CIRS). Infrared transmission spectra of thin films of pure propionitrile ices deposited at low temperature (30-160 K) were collected from 50 cm1 to 11,700 cm1 (200-0.85 m). The far-infrared spectral region was specifically targeted to compare with CIRS far-infrared limb spectra. The temperature and time evolution of C2H5CN ice was thoroughly investigated to better understand discrepancies reported in pre- viously published laboratory studies on the crystalline phase of C2H5CN. Specifically, we observe peculiar temperature and time-driven ice phase transitions, revealed by significant spectral variations in the ice, which stabilizes once a complete crystalline phase is achieved. From these results, the crystalline phase of propionitrile ice was identified at deposition temperatures greater than or equal to 135 K and < 140 K. Our findings corro- borate previous studies that ruled out pure propionitrile ice as the sole chemical identity of Titan's observed Haystack emission feature. In order to understand and identify the Haystack cloud, we have initiated co-de- position experiments that incorporate mixtures of Titan-relevant organics, many of which have corresponding vapors that are abundantly present in Titan's stratosphere. In this paper, we present the result of one example of a co-deposited ternary ice mixture containing 16% hydrogen cyanide (HCN), 23% C2H5CN, and 61% benzene (C6H6). Although this co-condensed ice mixture is the best fit thus far obtained to match the broad width of the Haystack, it is still not the appropriate chemical candidate. However, it reveals an intriguing result: the strong lattice mode of pure C2H5CN ice is drastically altered by the surrounding molecules as a result of mixing in a co- condensed phase. The laboratory results reported here on propionitrile ice may help to further constrain the chemical identification of Titan's stratospheric Haystack ice cloud, as well as improve on the current state of knowledge of Titan's stratospheric ice cloud chemistry.

Nna-Mvondo, Delphine↗
NASA NTRS2019

Detailed Infrared Study of Amorphous to Crystalline Propionitrile Ices Relevant to Observed Spectra of Titan's Stratospheric Ice Clouds

We have conducted a comprehensive study of propionitrile (C2H5CN) ice from the amorphous to crystalline phase in order to provide detailed information on this specific cyanide, which may potentially contribute to the chemical composition of the Haystack ice cloud observed in Titan’s stratosphere by the Cassini Composite InfraRed Spectrometer (CIRS). Infrared transmission spectra of thin films of pure propionitrile ices deposited at low temperature (30 – 160 K) were collected from 50 cm(exp -1) to 11700 cm(exp -1) (200 – 0.85 μm). The far-infrared spectral region was specifically targeted to compare with CIRS far-infrared limb spectra. The temperature and time evolution of C2H5CN ice was thoroughly investigated to better understand discrepancies reported in previously published laboratory studies on the crystalline phase of C2H5CN. Specifically, we observe peculiar temperature and time-driven ice phase transitions, revealed by significant spectral variations in the ice, which stabilizes once a complete crystalline phase is achieved. From these results, the crystalline phase of propionitrile ice was identified at deposition temperatures greater than or equal to 135 K and less than 140 K. Our findings corroborate previous studies that ruled out pure propionitrile ice as the sole chemical identity of Titan’s observed Haystack emission feature. As a result, we have initiated co-deposition experiments that incorporate mixtures of Titan relevant organics, many of which have corresponding vapors that are abundantly present in Titan's stratosphere. In this paper, we present the result of one example of a co-deposited trinary ice mixture containing 16% hydrogen cyanide (HCN), 23% C2H5CN, and 61% benzene (C6H6). Although this co-condensed ice mixture is the best fit thus far obtained to match the broad width of the Haystack, it is still not the appropriate chemical candidate. However, it reveals an intriguing result: the strong lattice mode of pure C2H5CN ice is drastically altered by the surrounding molecules as a result of mixing in a co-condensed phase. The laboratory results reported here on propionitrile ice may help to further constrain the chemical identification of Titan’s stratospheric Haystack ice cloud, as well as improve on the current state of knowledge of Titan's stratospheric ice cloud chemistry.

Delphine Nna-Mvondo↗
NASA NTRS2019

Detailed Infrared Study of Amorphous to Crystalline Propionitrile Ices Relevant to Observed Spectra of Titan's Stratospheric Ice Clouds

We have conducted a comprehensive study of propionitrile (C2H5CN) ice from the amorphous to crystalline phase in order to provide detailed information on this specific cyanide, which may potentially contribute to the chemical composition of the Haystack ice cloud observed in Titan's stratosphere by the Cassini Composite InfraRed spectrometer (CIRS). Infrared transmission spectra of thin films of pure propionitrile ices deposited at low temperature (30–160 K) were collected from 50 cm(exp −1) to 11,700 cm(exp −1) (200–0.85 μm). The far-infrared spectral region was specifically targeted to compare with CIRS far-infrared limb spectra. The temperature and time evolution of C2H5CN ice was thoroughly investigated to better understand discrepancies reported in previously published laboratory studies on the crystalline phase of C2H5CN. Specifically, we observe peculiar temperature and time-driven ice phase transitions, revealed by significant spectral variations in the ice, which stabilizes once a complete crystalline phase is achieved. From these results, the crystalline phase of propionitrile ice was identified at deposition temperatures greater than or equal to 135 K and <140 K. Our findings corroborate previous studies that ruled out pure propionitrile ice as the sole chemical identity of Titan's observed Haystack emission feature. In order to understand and identify the Haystack cloud, we have initiated co-deposition experiments that incorporate mixtures of Titan-relevant organics, many of which have corresponding vapors that are abundantly present in Titan's stratosphere. In this paper, we present the result of one example of a co-deposited ternary ice mixture containing 16% hydrogen cyanide (HCN), 23% C2H5CN, and 61% benzene (C6H6). Although this co-condensed ice mixture is the best fit thus far obtained to match the broad width of the Haystack, it is still not the appropriate chemical candidate. However, it reveals an intriguing result: the strong lattice mode of pure C2H5CN ice is drastically altered by the surrounding molecules as a result of mixing in a co-condensed phase. The laboratory results reported here on propionitrile ice may help to further constrain the chemical identification of Titan's stratospheric Haystack ice cloud, as well as improve on the current state of knowledge of Titan's stratospheric ice cloud chemistry.

Delphine Nna-Mvondo↗
NASA NTRS2019

Detailed infrared study of amorphous to crystalline propionitrile ices relevant to observed spectra of Titan's stratospheric ice clouds

We have conducted a comprehensive study of propionitrile (C2H5CN) ice from the amorphous to crystalline phase in order to provide detailed information on this specific cyanide, which may potentially contribute to the chemical composition of the Haystack ice cloud observed in Titan’s stratosphere by the Cassini Composite InfraRed Spectrometer (CIRS). Infrared transmission spectra of thin films of pure propionitrile ices deposited at low temperature (30 – 160 K) were collected from 50 cm-1 to 11,700 cm-1 (200 – 0.85 μm). The far-infrared spectral region was specifically targeted to compare with CIRS far-infrared limb spectra. The temperature and time evolution of C2H5CN ice was thoroughly investigated to better understand discrepancies reported in previously published laboratory studies on the crystalline phase of C2H5CN. Specifically, we observe peculiar temperature and time-driven ice phase transitions, revealed by significant spectral variations in the ice, which stabilizes once a complete crystalline phase is achieved. From these results, the crystalline phase of propionitrile ice was identified at deposition temperatures greater than or equal to 135 K and less than 140 K. Our findings corroborate previous studies that ruled out pure propionitrile ice as the sole chemical identity of Titan’s observed Haystack emission feature. As a result, we have initiated co-deposition experiments that incorporate mixtures of Titan-relevant organics, many of which have corresponding vapors that are abundantly present in Titan's stratosphere. In this paper, we present one example of a co-deposited trinary ice mixture containing 16% hydrogen cyanide (HCN), 23% C2H5CN, and 61% benzene (C6H6). Although this co-condensed ice mixture is a poor spectral match for the Haystack, it reveals an intriguing result: the strong lattice mode of pure C2H5CN ice is drastically altered by the surrounding molecules as a result of mixing in a co-condensed phase. The laboratory results reported here on propionitrile ice may help to further constrain the chemical identification of Titan’s stratospheric Haystack ice cloud, as well as improve on the current state of knowledge of Titan's stratospheric ice cloud chemistry.

Ices↗
DOE OSTI2023

Investigation of the ordered and disordered corrosion morphologies on Ni-based alloy in the passive state

We report an order and disorder combined corrosion morphology of dual-phase Ni-based alloy in the passive state. After galvanostatic polarization in the passive region, the surface of the γ(Ni) phase presents amorphous feature while that of the γ′(Ni 3 Al) phase maintains crystalline. The variations in weight percentages of Ni (50.19% → 3.80%), Co (19.24% → 0.65%), Ta (0.85% → 21.19%), and W (5.73% → 43.79%) of γ surface are evident, whereas the composition of γ′ surface is nearly unchanged. The passive film comprises $W^{6+}_{ox}$, $Ta^{5+}_{ox}$, $Cr^{3+}_{ox}$, $Co^{8/3+}_{ox}$, $Ni^{2+}_{hy}$, and $Co^{2+}_{hy}$, and it shows stronger protection effect on the γ phase.

Density functional theory↗
DOE OSTI2021

Solidification texture, variant selection, and phase fraction in a spot-melt electron-beam powder bed fusion processed Ti-6Al-4V

The effect of a spot melt strategy on the solidification texture, variant selection, phase fraction, and their variations along the build height was investigated in comparison to a conventional linear melt strategy. Ti-6Al-4V alloy samples were manufactured by an electron-beam powder bed fusion process using two different melt strategies and characterized using high-energy synchrotron x-ray diffraction. The linear and spot melt cases resulted in β<100> cube and fiber textures, respectively, with the cube/fiber axis nearly parallel to the build direction. The α phase exhibited Burgers orientation relationship (BOR) with the parent β phase for both melt strategies. Although all of the key texture components and the BOR between the α and β phases were consistently observed in both cases along the build height, there were several measurable differences between the two. At the top of the build height, the β<100> build texture intensity was stronger in the linear case. However, the texture intensity in the linear case decreased gradually from the top to near the substrate, whereas the spot melt case did not show this trend. Moreover, the BOR was examined along the build height and the results showed that there is a distinct variant selection in the spot melt case, unlike the linear case. Specifically, the planar variants sharing ($\bar101$) β || (0002) α with [$\bar2\bar2\bar2$]β and [$2\bar22$]β were the most prominent in the spot melt, but no preference was identified in the directional variants. The β phase fraction was slightly lower in the spot melt case compared to the linear case. In both the cases, the β phase fraction decreased moving towards the substrate but remained significantly higher than that of the powder feedstock. Overall, the novel spot melt strategy produced a more homogeneous microstructure in terms of both the phase fraction and texture across the build height.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Isotopic composition and concentration of sulfur in carbonaceous chondrites

New sulfur isotopic ratio measurements are reported for seven carbonaceous chondrites. Newly developed procedures permit measurement of delta S-33, delta S-34, and delta S-36 at precisions significantly greater than previously reported. A search for S-36 nucleosynthetic anomalies coproduced with anomalies in, for example, Ti-50 and Ca-48 was negative. The high endemic sulfur concentration probably dilutes any S-36 anomaly, and separation of individual sulfur phases may be needed to identify S-36 carrier phases. Large internal isotopic variations are observed, deriving from parent body and possibly nebular processes. Chondrule separates from Allende demonstrate isotopic compositions which vary as a function of diameter. High-temperature gas-solid exchange and a two-component mixing model may account for the observations. High-resolution isotopic data and structural information are reported for organic sulfur compounds separated by chemical extractions. The insoluble organics appear to be of either aliphatic or alicyclic structure and are dominant phases.

Gao, Xia↗
NASA NTRS2010

Florida Agriculture - Utilizing TRMM to Analyze Sea Breeze Thunderstorm Patterns During El Nino Southern Oscillations and Their Effects Upon Available Fresh Water for South Florida Agricultural Planning and Management

This project utilizes Tropical Rainfall Measuring Mission (TRMM) and Landsat satellite data to assess the impact of sea breeze precipitation upon areas of agricultural land use in southern Florida. Water is a critical resource to agriculture, and the availability of water for agricultural use in Florida continues to remain a key issue. Recent projections of statewide water use by 2020 estimate that 9.3 billion gallons of water per day will be demanded, and agriculture represents 47% of this demand (Bronson 2003). Farmers have fewer options for water supplies than public users and are often limited to using available supplies from surface and ground water sources which depend in part upon variable weather patterns. Sea breeze thunderstorms are responsible for much of the rainfall delivered to Florida during the wet season (May-October) and have been recognized as an important overall contributor of rainfall in southern Florida (Almeida 2003). TRMM satellite data was used to analyze how sea breeze-induced thunderstorms during El Nino and La Nina affected interannual patterns of precipitation in southern Florida from 1998-2009. TRMM's Precipitation Radar and Microwave Imager provide data to quantify water vapor in the atmosphere, precipitation rates and intensity, and the distribution of precipitation. Rainfall accumulation data derived from TRMM and other microwave sensors were used to analyze the temporal and spatial variations of rainfall during each phase of the El Nino Southern Oscillation (ENSO). Through the use of TRMM and Landsat, slight variations were observed, but it was determined that neither sea breeze nor total rainfall patterns in South Florida were strongly affected by ENSO during the study period. However, more research is needed to characterize the influence of ENSO on summer weather patterns in South Florida. This research will provide the basis for continued observations and study with the Global Precipitation Measurement Mission.

Billiot, Amanda↗
NASA NTRS1975

ATS-5 observations of plasma sheet particles before the expansion-phase onset, appendix C.

Behavior of the plasma sheet around its earthward edge during substorms was studied by using high resolution (every 2.6 sec) measurements of proton and electron fluxes by ATS-5. In the injection region near midnight the flux increase at the expansion-phase onset is shown to lag behind the onset of the low-latitude positive bay by several minutes. Depending upon the case, before the above increase (1) the flux stays at a constant level, (2) it gradually increases for some tens of minutes, or (3) it briefly drops to a low level. Difference in the position of the satellite relative to the earthward edge and to the high-latitude boundary of the plasma sheet is suggested as a cause of the above difference in flux variations during the growth phase of substorms. Magnetograms and tables (data) are shown.

Fujii, K.↗
NASA NTRS2006

Symmetric Phase Only Filtering for Improved DPIV Data Processing

The standard approach in Digital Particle Image Velocimetry (DPIV) data processing is to use Fast Fourier Transforms to obtain the cross-correlation of two single exposure subregions, where the location of the cross-correlation peak is representative of the most probable particle displacement across the subregion. This standard DPIV processing technique is analogous to Matched Spatial Filtering, a technique commonly used in optical correlators to perform the crosscorrelation operation. Phase only filtering is a well known variation of Matched Spatial Filtering, which when used to process DPIV image data yields correlation peaks which are narrower and up to an order of magnitude larger than those obtained using traditional DPIV processing. In addition to possessing desirable correlation plane features, phase only filters also provide superior performance in the presence of DC noise in the correlation subregion. When DPIV image subregions contaminated with surface flare light or high background noise levels are processed using phase only filters, the correlation peak pertaining only to the particle displacement is readily detected above any signal stemming from the DC objects. Tedious image masking or background image subtraction are not required. Both theoretical and experimental analyses of the signal-to-noise ratio performance of the filter functions are presented. In addition, a new Symmetric Phase Only Filtering (SPOF) technique, which is a variation on the traditional phase only filtering technique, is described and demonstrated. The SPOF technique exceeds the performance of the traditionally accepted phase only filtering techniques and is easily implemented in standard DPIV FFT based correlation processing with no significant computational performance penalty. An "Automatic" SPOF algorithm is presented which determines when the SPOF is able to provide better signal to noise results than traditional PIV processing. The SPOF based optical correlation processing approach is presented as a new paradigm for more robust cross-correlation processing of low signal-to-noise ratio DPIV image data."

Wernet, Mark P.↗
DOE OSTI2020

The First Habitable-zone Earth-sized Planet from TESS. III. Climate States and Characterization Prospects for TOI-700 d

We present self-consistent three-dimensional climate simulations of possible habitable states for the newly discovered habitable-zone Earth-sized planet TOI-700 d. We explore a variety of atmospheric compositions, pressures, and rotation states for both ocean-covered and completely desiccated planets in order to assess the planet’s potential for habitability. For all 20 of our simulated cases, we use our climate model outputs to synthesize transmission spectra, combined-light spectra, and integrated broadband phase curves. These climatologically informed observables will help the community assess the technological capabilities necessary for future characterization of this planet—as well as similar transiting planets discovered in the future—and will provide a guide for distinguishing possible climate states if one day we do obtain sensitive spectral observations of a habitable planet around an M star. We find that TOI-700 d is a strong candidate for a habitable world and can potentially maintain temperate surface conditions under a wide variety of atmospheric compositions. Unfortunately, the spectral feature depths from the resulting transmission spectra and the peak flux and variations from our synthesized phase curves for TOI-700 d do not exceed 10 ppm. This will likely prohibit the James Webb Space Telescope from characterizing its atmosphere; however, this motivates the community to invest in future instrumentation that perhaps can one day reveal the true nature of TOI-700 d and to continue to search for similar planets around less distant stars.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2020

The First Habitable-zone Earth-sized Planet from TESS. III. Climate States and Characterization Prospects for TOI-700 d

We present self-consistent three-dimensional climate simulations of possible habitable states for the newly discovered habitable-zone Earth-sized planet TOI-700 d. We explore a variety of atmospheric compositions, pressures, and rotation states for both ocean-covered and completely desiccated planets in order to assess the planet's potential for habitability. For all 20 of our simulated cases, we use our climate model outputs to synthesize transmission spectra, combined-light spectra, and integrated broadband phase curves. These climatologically informed observables will help the community assess the technological capabilities necessary for future characterization of this planet—as well as similar transiting planets discovered in the future—and will provide a guide for distinguishing possible climate states if one day we do obtain sensitive spectral observations of a habitable planet around an M star. We find that TOI-700 d is a strong candidate for a habitable world and can potentially maintain temperate surface conditions under a wide variety of atmospheric compositions. Unfortunately, the spectral feature depths from the resulting transmission spectra and the peak flux and variations from our synthesized phase curves for TOI-700 d do not exceed 10 ppm. This will likely prohibit the James Webb Space Telescope from characterizing its atmosphere; however, this motivates the community to invest in future instrumentation that perhaps can one day reveal the true nature of TOI-700 d and to continue to search for similar planets around less distant stars.

Gabrielle Suissa↗
NASA NTRS2012

GMSK Modulation for Deep Space Applications

Due to scarcity of spectrum at 8.42 GHz deep space Xband allocation, many deep space missions are now considering the use of higher order modulation schemes instead of the traditional binary phase shift keying (BPSK). One such scheme is pre-coded Gaussian minimum shift keying (GMSK). GMSK is an excellent candidate for deep space missions. GMSK is a constant envelope, bandwidth efficien modulation whose frame error rate (FER) performance with perfect carrier tracking and proper receiver structure is nearly identical to that of BPSK. There are several issues that need to be addressed with GMSK however. Specificall, we are interested in the combined effects of spectrum limitations and receiver structure on the coded performance of the X-band link using GMSK. The receivers that are typically used for GMSK demodulations are variations on offset quadrature phase shift keying (OQPSK) receivers. In this paper we consider three receivers: the standard DSN OQPSK receiver, DSN OQPSK receiver with filte ed input, and an optimum OQPSK receiver with filte ed input. For the DSN OQPSK receiver we show experimental results with (8920, 1/2), (8920, 1/3) and (8920, 1/6) turbo codes in terms of their error rate performance. We also consider the tracking performance of this receiver as a function of data rate, channel code and the carrier loop signal-to-noise ratio (SNR). For the other two receivers we derive theoretical results that will show that for a given loop bandwidth, a receiver structure, and a channel code, there is a lower data rate limit on the GMSK below which a higher SNR than what is required to achieve the required FER on the link is needed. These limits stem from the minimum loop signal-to-noise ratio requirements on the receivers for achieving lock. As a result of this, for a given channel code and a given FER, there could be a gap between the maximum data rate that BPSK can support without violating the spectrum limits and the minimum data rate that GMSK can support with the required FER depending on the type of GMSK receiver that is used.

Communications↗
DOE OSTI2025

Applications of Nickelate perovskites for neuromorphic computing from electronic structure and Machine Learning

While the limit of Moore's law is presently being reached with current microelectronic technologies, we need to develop new paradigms that overcome this limitation. In that respect, neuromorphic computing is a concept that emulates the neural behavior and response of the human brain, and it has been recognized as a promising alternative approach. In this research project, we will perform multi-fidelity scale bridging to explore the potential use of materials with metal to insulator transition for neuromorphic applications. In particular, rare earth nickelates are promising for such purposes, as the transition in these materials is quite sensitive to a broad set of different external stimuli. Our multi-fidelity approach will bridge the high-fidelity electronic structure calculations with classical potentials. We will bridge dynamical mean field theory with a classical atomistic representation via a deep learning force field. The neural network is trained with energies, charges, and forces obtained by accurate electronic structure theories based on Dynamical Mean Field Theory. The configurational space is generated from known crystal phases, ab initio molecular dynamics with exchange-correlation functionals corrected with the Hubbard model, disordered phases with different concentrations of oxygen vacancies, and nonsymmetrical positions and induced strain by grain interfaces or contact with a substrate. Strategies to train the model with a reduced number of training examples are obtained from active learning methods, and new structures for improving the learning process are generated by using machine learning autoencoders. This classical potential will be validated through a diversity of electronic structure methods and represents an important step to combine the flexibility and accuracy of first-principles with the speed of classical potentials. The generated multi-fidelity surrogate model will be used to understand the role of strain, oxygen vacancies, proton doping, the variation of the crystal phase, substrate effects, vibrational effects as the octahedral rotation, grain boundaries and defect effects on the response of a Metal to Insulator Transition (MIT) in correlated materials. Long time and large-scale simulations will help understand the role of different stimuli to control the hysteresis of the MIT, as it has been experimentally suggested. Selected configurations will be analyzed with higher-level theories to provide an accurate electronic description and to study how the orbitals and charges are rearranged under different conditions.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Heat-transfer testing procedures in phase B shuttle studies with emphasis on phase change data improvement

The procedures used in the application of the phase change technique to the phase B shuttle configuration are discussed along with factors which may affect data accuracy. These factors include variation of thermal properties of phase change model material, sensitivity of measured heat transfer coefficients to the assumed value of the adiabatic to total temperature ratio, and wall temperature effects. These sensitivities are illustrated in sample calculations for a shuttle geometry. Factors which may affect the visual clarity and interpretation of phase change data are discussed, and a method of improving photographic data quality through the use of polarized light is presented.

Throckmorton, D. A.↗