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NASA NTRS2007

Electronics for Low Temperature Space Exploration Missions

Exploration missions to outer planets and deep space require spacecraft, probes, and on-board data and communication systems to operate reliably and efficiently under severe harsh conditions. On-board electronics, in particular those in direct exposures to the space environment without any shielding or protection, will encounter extreme low temperature and thermal cycling in their service cycle in most of NASA s upcoming exploration missions. For example, Venus atmosphere, Jupiter atmosphere, Moon surface, Pluto orbiter, Mars, comets, Titan, Europa, and James Webb Space Telescope all involve low-temperature surroundings. Therefore, electronics for space exploration missions need to be designed for operation under such environmental conditions. There are ongoing efforts at the NASA Glenn Research Center (GRC) to establish a database on the operation and reliability of electronic devices and circuits under extreme temperature operation for space applications. This work is being performed under the Extreme Temperature Electronics Program with collaboration and support of the NASA Electronic Parts and Packaging (NEPP) Program. The results of these investigations will be used to establish safe operating areas and to identify degradation and failure modes, and the information will be disseminated to mission planners and system designers for use as tools for proper part selection and in risk mitigation. An overview of this program along with experimental data will be presented.

Patterson, Richard L.↗

NASA NTRS2008

Applications of TRMM-based Multi-Satellite Precipitation Estimation for Global Runoff Simulation: Prototyping a Global Flood Monitoring System

Advances in flood monitoring/forecasting have been constrained by the difficulty in estimating rainfall continuously over space (catchment-, national-, continental-, or even global-scale areas) and flood-relevant time scale. With the recent availability of satellite rainfall estimates at fine time and space resolution, this paper describes a prototype research framework for global flood monitoring by combining real-time satellite observations with a database of global terrestrial characteristics through a hydrologically relevant modeling scheme. Four major components included in the framework are (1) real-time precipitation input from NASA TRMM-based Multi-satellite Precipitation Analysis (TMPA); (2) a central geospatial database to preprocess the land surface characteristics: water divides, slopes, soils, land use, flow directions, flow accumulation, drainage network etc.; (3) a modified distributed hydrological model to convert rainfall to runoff and route the flow through the stream network in order to predict the timing and severity of the flood wave, and (4) an open-access web interface to quickly disseminate flood alerts for potential decision-making. Retrospective simulations for 1998-2006 demonstrate that the Global Flood Monitor (GFM) system performs consistently at both station and catchment levels. The GFM website (experimental version) has been running at near real-time in an effort to offer a cost-effective solution to the ultimate challenge of building natural disaster early warning systems for the data-sparse regions of the world. The interactive GFM website shows close-up maps of the flood risks overlaid on topography/population or integrated with the Google-Earth visualization tool. One additional capability, which extends forecast lead-time by assimilating QPF into the GFM, also will be implemented in the future.

Hong, Yang↗

DOE OSTI2021

Thermodynamics and kinetics of precipitation and austenite reversion during aging of Ti-free grade 300 maraging steel manufactured by laser powder bed fusion (LPBF)

Austenite reversion and intermetallic precipitation are two key phase transformations in maraging steels which determine the strength and ductility. Usually, an optimum aging temperature/time is determined using trial and error approach with inputs from thermodynamic databases and a-posteriori microscopy/hardness evaluations. In this study, a thermo-kinetic model is developed to predict the precipitation and austenite reversion kinetics during various post-fabrication heat treatments in a Ti-free variant of grade 300 maraging steel manufactured using laser powder bed fusion. The thermo-kinetic model was based on the principles of Scheil solidification and the classical nucleation theory. The predictions from the thermo-kinetic model were verified using suitable microscopy techniques, and the results from the thermo-kinetic model agree well with the experimental measurements. Overall, results highlight the fact that an Integrated Computational Materials Engineering approach can be used to predict the precipitation and austenite reversion kinetics, and be used as an input for an efficient design of heat treatments for achieving optimum mechanical properties.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Group Additivity Determination for Oxygenates, Oxonium Ions, and Oxygen-Containing Carbenium Ions

Bio-oil produced from biomass fast pyrolysis often requires catalytic upgrading to remove oxygen and acidic species over zeolite catalysts. The elementary reactions in the mechanism for this process involve carbenium and oxonium ions. In order to develop a detailed kinetic model for the catalytic upgrading of biomass, rate constants are required for these elementary reactions. The parameters in the Arrhenius equation can be related to thermodynamic properties through structure-reactivity relationships, such as the Evans-Polanyi relationship. For this relationship, enthalpies of formation of each species are required, which can be reasonably estimated using group additivity. However, the literature previously lacked group additivity values for oxygenates, oxonium ions, and oxygen-containing carbenium ions. In this work, 71 group additivity values for these types of groups were regressed, 65 of which had not been reported previously and six of which were newly estimated based on regression in the context of the 65 new groups. Heats of formation based on atomization enthalpy calculations for a set of reference molecules and isodesmic reactions for a small set of larger species for which experimental data was available were used to demonstrate the accuracy of the Gaussian-4 quantum mechanical method in estimating enthalpies of formation for species involving the moieties of interest. Isodesmic reactions for a total of 195 species were constructed from the reference molecules to calculate enthalpies of formation that were used to regress the group additivity values. The results showed an average deviation of 1.95 kcal/mol between the values calculated from Gaussian-4 and isodesmic reactions versus those calculated from the group additivity values that were newly regressed. Importantly, the new groups enhance the database for group additivity values, especially those involving oxonium ions.

09 BIOMASS FUELS↗

NASA NTRS2005

Flight Testing an Integrated Synthetic Vision System

NASA's Synthetic Vision Systems (SVS) project is developing technologies with practical applications to eliminate low visibility conditions as a causal factor to civil aircraft accidents while replicating the operational benefits of clear day flight operations, regardless of the actual outside visibility condition. A major thrust of the SVS project involves the development/demonstration of affordable, certifiable display configurations that provide intuitive out-the-window terrain and obstacle information with advanced pathway guidance for transport aircraft. The SVS concept being developed at NASA encompasses the integration of tactical and strategic Synthetic Vision Display Concepts (SVDC) with Runway Incursion Prevention System (RIPS) alerting and display concepts, real-time terrain database integrity monitoring equipment (DIME), and Enhanced Vision Systems (EVS) and/or improved Weather Radar for real-time object detection and database integrity monitoring. A flight test evaluation was jointly conducted (in July and August 2004) by NASA Langley Research Center and an industry partner team under NASA's Aviation Safety and Security, Synthetic Vision System project. A Gulfstream GV aircraft was flown over a 3-week period in the Reno/Tahoe International Airport (NV) local area and an additional 3-week period in the Wallops Flight Facility (VA) local area to evaluate integrated Synthetic Vision System concepts. The enabling technologies (RIPS, EVS and DIME) were integrated into the larger SVS concept design. This paper presents experimental methods and the high level results of this flight test.

Kramer, Lynda J.↗

DOE OSTI2023

A biomass map of the Brazilian Amazon from multisource remote sensing

The Amazon Forest, the largest contiguous tropical forest in the world, stores a significant fraction of the carbon on land. Changes in climate and land use affect total carbon stocks, making it critical to continuously update and revise the best estimates for the region, particularly considering changes in forest dynamics. Forest inventory data cover only a tiny fraction of the Amazon region, and the coverage is not sufficient to ensure reliable data interpolation and validation. This paper presents a new forest above-ground biomass map for the Brazilian Amazon and the associated uncertainty both with a resolution of 250 meters and baseline for the satellite dataset the year of 2016 (i.e., the year of the satellite observation). A significant increase in data availability from forest inventories and remote sensing has enabled progress towards high-resolution biomass estimates. This work uses the largest airborne LiDAR database ever collected in the Amazon, mapping 360,000 km 2 through transects distributed in all vegetation categories in the region. The map uses airborne laser scanning (ALS) data calibrated by field forest inventories that are extrapolated to the region using a machine learning approach with inputs from Synthetic Aperture Radar (PALSAR), vegetation indices obtained from the Moderate-Resolution Imaging Spectroradiometer (MODIS) satellite, and precipitation information from the Tropical Rainfall Measuring Mission (TRMM). A total of 174 field inventories geolocated using a Differential Global Positioning System (DGPS) were used to validate the biomass estimations. The experimental design allowed for a comprehensive representation of several vegetation types, producing an above-ground biomass map varying from a maximum value of 518 Mg ha -1 , a mean of 174 Mg ha -1 , and a standard deviation of 102 Mg ha -1 . This unique dataset enabled a better representation of the regional distribution of the forest biomass and structure, providing further studies and critical information for decision-making concerning forest conservation, planning, carbon emissions estimate, and mechanisms for supporting carbon emissions reductions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates

Characterizing glycans and glycoconjugates in the context of three-dimensional structures is important in understanding their biological roles and developing efficient therapeutic agents. Computational modeling and molecular simulation have become an essential tool complementary to experimental methods. In this work, we present a computational tool, Glycan Modeler for in silico N–/O –glycosylation of the target protein and generation of carbohydrate-only systems. In our previous study, we developed Glycan Reader , a web-based tool for detecting carbohydrate molecules from a PDB structure and generation of simulation system and input files. As integrated into Glycan Reader in CHARMM-GUI, Glycan Modeler (Glycan Reader & Modeler) enables to generate the structures of glycans and glycoconjugates for given glycan sequences and glycosylation sites using PDB glycan template structures from Glycan Fragment Database (http://glycanstructure.org/fragment-db). Our benchmark tests demonstrate the universal applicability of Glycan Reader & Modeler to various glycan sequences and target proteins. We also investigated the structural properties of modeled glycan structures by running 2-μs molecular dynamics simulations of HIV envelope protein. The simulations show that the modeled glycan structures built by Glycan Reader & Modeler have the similar structural features compared to the ones solved by X-ray crystallography. We also describe the representative examples of glycoconjugate modeling with video demos to illustrate the practical applications of Glycan Reader & Modeler . Glycan Reader & Modeler is freely available at http://charmm-gui.org/input/glycan.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Embedded EPICS server for PowerPMAC motion controllers

An embedded server layer of Experimental Physics and Industrial Control System (EPICS) for PowerPMAC motion controllers has been developed and deployed at two undulator beamlines of the National Institute of General Medical Sciences and the National Cancer Institute (GM/CA) Structural Biology Facility at the Advanced Photon Source (APS). This compact, open source solution makes the power and versatility of PowerPMAC motion controls directly accessible to distributed EPICS clients. At GM/CA the system controls about 200 servo and stepper motors — both encoded and unencoded — and multiple digital and analog I/O accessories. The server stack comprises two sublayers: a lower-level driver and database that communicates directly with PowerPMAC, and a facility-specific soft sublayer built on top. The paper describes installing EPICS on PowerPMAC, the implementation of both layers and client examples, including on-the-fly scanning.

EPICS↗

DOE OSTI2019

Development of an accelerator-based diagnostic for plasma-facing surfaces in magnetic confinement devices

The focus of this work was the development of the Accelerator-based In-situ Material Surveillance (AIMS) diagnostic. The understanding of plasma-material interaction processes in fusion devices has been greatly hampered by the lack of ability to measure the surface ~micron layers of solid surfaces that are in contact with and greatly modified by the boundary fusion plasma. AIMS was the first diagnostic developed and deployed that allowed non-destructive surface measurements with adequate spatial and time resolution. The deployment was primarily carried out on the Alcator C-Mod tokamak. AIMS diagnostic goal is to remotely generate isotopic concentration maps on a plasma shot-to-shot timescale that cover a large fraction of the plasma-facing surface inside of a magnetic fusion device without the need for vacuum breaks or physical access to the material surfaces. The diagnostic used a compact (~ 1 m), high-current (~ 1 milliamp) radio-frequency quadrupole accelerator to inject 0.9 MeV deuterons into the Alcator C-Mod tokamak. The tokamak magnetic fields were controlled – in between plasma shots – to steer the deuterons to material surfaces where the deuterons cause high-Q nuclear reactions with low-Z isotopes up to 5 microns into the material. The induced neutrons and gamma rays are measured with scintillation detectors; energy spectra analysis provides quantitative reconstruction of surface compositions. Experimental validation showed that low-Z isotopes such as deuterium and boron can be quantified on the material surfaces, and that magnetic steering provides access to different measurement locations. AIMS measurements of D retention on inner wall PFCs were acquired during diverted and limited plasma operations and during wall conditioning experiments om Alcator C-Mod. Intershot measurements demonstrate the local erosion and co-deposition of boron films on PFC surfaces with a constant D-B ratio. This is consistent with previous results suggesting that D co-=deposition with boron is insufficient to account for the net retention observed in Alcator C-Mod. Changes in deuterium concentration during boronization, electron cyclotron and glow cleanings were also measured. These initial results were limited to studying low-Z surface properties, because the Coulomb barrier precludes nuclear reactions between high-Z elements and the ~1 MeV AIMS deuteron beam. In order to measure the high-Z erosion of interest in Alcator C-Mod and future fusion devices, a new technique using deuteron-induced gamma emission and a low-Z depth marker was developed using implanted depth markers as a method of measuring bulk erosion and redeposition. This method is dubbed DEA: Depth marker Erosion with AIMS. DEA simulations and experiments were used to validate this technique, both in the laboratory and via experiments in the EAST tokamak. Based on these results, the DEA technique, using ion beam implanted depth markers as a reference to the surface in order to monitor surfaces for erosion and redeposition, is a viable option as a diagnostic, both in and ex situ. These markers show stability to temperature, the tokamak environment, and multiple probing beams. The ex-situ (eDEA) method, which uses resonances in the cross sections of gamma producing reactions to track the surface, was used to successfully measure erosion in samples that were exposed in the EAST tokamak. The in-situ (iDEA) method, which uses the gamma yield ratio to monitor changes to the surface, was used to differentiate between markers implanted to different depths. Both techniques were successfully simulated, and both presented unique challenges experimentally and in data analysis. In particular, the eDEA probing beam was found to have energy variations leading to initial experimental uncertainty, and the iDEA gamma spectra had conflicting gamma peaks which make data analysis difficult. However, the end result is a promising framework for a diagnostic technique that supplements the abilities of AIMS and expands the possibilities of surface diagnostics in fusion devices. While the results of this work are overwhelmingly encouraging for further development of AIMS in general, and the DEA technique specifically, several areas require significant development before this diagnostic is as robust and widely applicable as a surface diagnostic ought to be. Recommended future work includes the development of a cross section/yield measurement database, erosion tests with secondary verification of results using a fiducial mark from a focused ion beam, and acquiring a new accelerator with a more reliable high energy proton and deuterium beam The project resulted in 14 publications, including the PhD theses of three MIT graduate students, cited in the included bibliography.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1994

Transition correlations in three-dimensional boundary layers

The stability and transition characteristics of three-dimensional boundary-layer flows are examined. First, the flow over a rotating cone is considered computationally. An increase of stagnation temperature is found to be only slightly stabilizing. Parameter studies on the simple rotating-cone geometry provide a large database of three-dimensional boundary-layer profiles and associated stability characteristics. To determine the possibility of correlating transition location with parameters based purely on basic-state three-dimensional boundary-layer profile characteristics, an empirical transition location of N = 9 is assumed. Transition location does not correlate with the traditional crossflow Reynolds number. A more appropriate definition for crossflow Reynolds number is found and termed R(sub cf(new)). This new parameter appears to correlate for transition location when plotted against maximum crossflow velocity. Then, the flow over a yawed cone is considered experimentally. The correlation results obtained from the rotating-cone work are applied to the actual measured transition locations on two different yawed-cone models under various angle-of-attack conditions in two different experimental facilities and are verified. This correlation is only suggested as a tool for preliminary transition prediction and design in three-dimensional boundary layers; once a preliminary shape is selected, further linear stability theory or parabolized stability equation calculations are strongly urged.

Reed, Helen L.↗

NASA NTRS2001

Measurements and Predictions for a Distributed Exhaust Nozzle

The acoustic and aerodynamic performance characteristics of a distributed exhaust nozzle (DEN) design concept were evaluated experimentally and analytically with the purpose of developing a design methodology for developing future DEN technology. Aerodynamic and acoustic measurements were made to evaluate the DEN performance and the CFD design tool. While the CFD approach did provide an excellent prediction of the flowfield and aerodynamic performance characteristics of the DEN and 2D reference nozzle, the measured acoustic suppression potential of this particular DEN was low. The measurements and predictions indicated that the mini-exhaust jets comprising the distributed exhaust coalesced back into a single stream jet very shortly after leaving the nozzles. Even so, the database provided here will be useful for future distributed exhaust designs with greater noise reduction and aerodynamic performance potential.

Kinzie, Kevin W.↗

DOE OSTI2016

Evaluation of interfacial area transport models for horizontal bubbly flow

This paper presents evaluation results of interfacial area transport equation (IATE) for horizontal air-water bubbly flow. The steady-state one-dimensional, one-group IATE for adiabatic air-water bubbly flow developed by Talley [1] is employed in the current evaluation study. The models evaluated include: (a) drift-flux-based closure relations for void-weighted bubble velocity and void fraction; (b) frictional pressure drop model based on the Lockhart-Martinelli approach; (c) bubble interaction mechanisms; and (d) covariance associated with asymmetric bubble distribution in horizontal two-phase flow. In order to evaluate the models, a local two-phase flow database obtained by the four-sensor conductivity probe in fourteen different test conditions is employed, which covers a wide range of flow conditions in horizontal bubbly flow regime, with superficial liquid and gas velocities ranging from 3.50-6.00 m/s and 0.09- 1.00 m/s, respectively. It is demonstrated that both the void weighted bubble velocity and void fraction are predicted well with an average percent difference of ±2.7%. The fictional pressure loss can be predicted with an average percent difference of ±1.12%. The covariance parameters calculated from the modeling approach generally compare well with those calculated from experimental data within ±20% difference. It is found that the IATE generally predicts the measured interfacial area concentration with an average percent difference of ±5.7%. Furthermore, the effect of liquid velocity on individual bubble interaction mechanisms is investigated. It is found that both the contributions of random collision and turbulent impact decrease as liquid velocity decreases. (authors)

42 ENGINEERING↗

DOE OSTI2020

Physics-guided machine learning approaches to predict the ideal stability properties of fusion plasmas

One of the biggest challenges to achieve the goal of producing fusion energy in tokamak devices is the necessity of avoiding disruptions of the plasma current due to instabilities. The disruption event characterization and forecasting (DECAF) framework has been developed in this purpose, integrating physics models of many causal events that can lead to a disruption. Two different machine learning approaches are proposed to improve the ideal magnetohydrodynamic (MHD) no-wall limit component of the kinetic stability model included in DECAF. First, a random forest regressor (RFR), was adopted to reproduce the DCON computed change in plasma potential energy without wall effects for a large database of equilibria from the national spherical torus experiment (NSTX). This tree-based method provides an analysis of the importance of each input feature, giving an insight into the underlying physics phenomena. Secondly, a fully-connected neural network has been trained on sets of calculations with the DCON code, to get an improved closed form equation of the no-wall β limit as a function of the relevant plasma parameters indicated by the RFR. The neural network has been guided by physics theory of ideal MHD in its extension outside the domain of the NSTX experimental data. The estimated value has been incorporated into the DECAF kinetic stability model and tested against a set of experimentally stable and unstable discharges. Moreover, the neural network results were used to simulate a real-time stability assessment using only quantities available in real-time. Finally, the portability of the model was investigated, showing encouraging results by testing the NSTX-trained algorithm on the mega ampere spherical tokamak (MAST).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Approximating the near-edge mass absorption coefficients for Ni using an ultra-thin bimetal foil

In an effort to improve the characteristics of a fluorescing metal-foil-based beam position monitor, a new bimetal ultra-thin (0.98/0.67 µm) Ti–Ni foil was introduced to replace an existing single-element ultra-thin 0.5 µm thick Cr foil. During characterization it was determined that absorption measurements on the bimetal foil could be used to fit the Ni mass absorption coefficients accurately in the vicinity of the Ni K edge. Comparison with experimental results from the literature demonstrated that the fitting procedure produced coefficients with uncertainties of the order of ±1%. Once determined, these fit coefficients allowed the thickness of an independently mounted 8 µm thick Ni foil to be computed from absorption measurements instead of relying on a tool-based measurement of the foil thickness. Using the 8 µm thick foil, a continuous map of Ni mass absorption coefficients was produced at 1 eV resolution throughout the near-edge region. Lastly, this high-resolution map marks a significant improvement over the existing NIST XCOM or FFAST database mass absorption coefficients, which have estimated errors of 10–20% for the near-edge region.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Thermomechanical deformation behavior of a dynamic strain aging alloy, Hastelloy X

An experimental study was performed to identify the effects of dynamic strain aging (solute drag) and metallurgical instabilities under thermomechanical loading conditions. The study involved a series of closely controlled thermomechanical deformation tests on the solid-solution-strenghened nickel-base superalloy, Hastelloy X. This alloy exhibits a strong isothermal strain aging peak at approximately 600 C, promoted by the effects of solute drag and precipitation hardening. Macroscopic thermomechanical hardening trends are correlated with microstructural characteristics through the use of transmission electron microscopy. These observations are compared and contrasted with isothermal conditions. Thermomechanical behavior unique to the isothermal database is identified and discussed. The microstructural characteristics were shown to be dominated by effects associated with the highest temperature of the thermomechanical cycle. Results indicate that the deformation behavior of Hastelloy X is thermomechanically path dependent. In addition, guidance is given pertaining to deformation modeling in the context of macroscopic unified theory. An internal state variable is formulated to qualitatively reflect the isotropic hardening trends identified in the TMD experiments.

Castelli, Michael G.↗

NASA NTRS1990

High-Reynolds-Number Test of a 5-Percent-Thick Low-Aspect-Ratio Semispan Wing in the Langley 0.3-Meter Transonic Cryogenic Tunnel: Wing Pressure Distributions

A high Reynolds number test of a 5 percent thick low aspect ratio semispan wing was conducted in the adaptive wall test section of the Langley 0.3 m Transonic Cryogenic Tunnel. The model tested had a planform and a NACA 64A-105 airfoil section that is similar to that of the pressure instrumented canard on the X-29 experimental aircraft. Chordwise pressure data for Mach numbers of 0.3, 0.7, and 0.9 were measured for an angle-of-attack range of -4 to 15 deg. The associated Reynolds numbers, based on the geometric mean chord, encompass most of the flight regime of the canard. This test was a free transition investigation. A summary of the wing pressures are presented without analysis as well as adapted test section top and bottom wall pressure signatures. However, the presented graphical data indicate Reynolds number dependent complex leading edge separation phenomena. This data set supplements the existing high Reynolds number database and are useful for computational codes comparison.

Chu, Julio↗

NASA NTRSDate not supplied

Open-source Numerical Modeling of Solidification Cracking Susceptibility: Application to Refractory Alloy Systems

Introduction. Alloys such as aluminum, nickel-base, and austenitic stainless steels are susceptible to solidification cracking during welding and 3D printing. Compositional optimization is one method used to effectively mitigate solidification cracking of those alloy systems. With the surge in hypersonic and in-space propulsion activities, refractory metals (Nb, Mo, Ta, W, and Re) and their alloy derivatives are increasing in importance due to their extreme high melting point and retention of high-temperature strength; however, their chemistry was most typically optimized to promote ductility during mechanical operations such as drawing and forming. Welding of such alloys has been a challenge due to a number of issues including solidification cracking, atmospheric contamination (O, C, and N), as well as a shift in ductile-to-brittle transition to higher temperature following grain growth induced by welding. Compositional optimization of refractory alloys for solidification cracking resistance in particular is desirable as their usage increases with the advent of advanced manufacturing methods such as 3D printing. This work evaluates the effect of compositional variation in refractory metal systems on the solidification cracking susceptibility with the goals of optimizing existing alloys and joining process techniques, and formulating new alloys with increased solidification cracking resistance. Experimental Procedures. A python code was developed in a Jupyter notebook environment (Michael and Sowards, 2023) to facilitate the calculation of crack susceptibility index proposed by Kou (2015). Composition is entered as a single point, or as a 1-D or 2-D array. The notebook calls pycalphad (Otis and Liu, 2017 and Bocklund et al, 2020) to calculate the evolution of fraction solid as a function of temperature (under either Scheil or equilibrium assumptions) and then evaluates steepness of the fraction solid curve near the terminal stage of solidification to predict solidification cracking resistance. Open source thermodynamic databases available at online repositories are used (van de Walle). The process is setup in an automated fashion to generate plots that show variation in solidification cracking susceptibility according to composition on 1-D line plots or 2-D contour plots. The Jupyter notebook and crack susceptibility algorithm was also integrated with a widely used commercial CALPHAD code for validation and alloy exploration. Results and Discussion. The crack susceptibility model was first validated against a series of refractory alloy compositions evaluated in past work which utilized a specialized Varestraint test built inside a vacuum chamber environment (Lessman and Gold, 1971). The alloys tested in the Varestraint apparatus included T-111 (Ta-8W-2Hf), ASTAR-811C (Ta-8W-1Re-0.7Hf-0.025C), FS-85 (Nb-27Ta-10W-1Zr), T-222 (Ta-9.6W-2.4Hf-0.01C), Ta-10W, B-66 (Nb-5Mo-5V-1Zr), and SCb-291 (Nb-10W-10Ta). The initial test of the model showed a strong correlation with empirical Varestraint data, i.e., a Spearman rank correlation between model predictions and hot cracking measurements was observed to be greater than 0.8. Following the validation, a set of refractory metal binary mixtures was investigated to evaluate sensitivity of Nb, Mo, W, and Ta to C, N, and O content. A series of plots were produced that suggest ppmw ranges of C, N, and O where solidification cracking increases significantly and reaches a maximum. Also comparative ranking of each primary refractory metal to each interstitial was produced. For example C produces greater cracking response in Mo whereas O produces greater cracking response in Ta and Nb. Such compositional values have utility in setting limits on pickup of these interstitial elements during welding and printing rather than using a one-size-fits-all approach. Furthermore, the results have use in determining additive powder recycling requirements, which is especially pertinent for refractory metal powders due to their high cost compared to conventional alloys. Another application created thousands of hypothetical alloys within the nominal specified composition range of two widely used refractory alloys C103 (Nb-10Hf-1Ti) and TZM (Mo-0.5Ti-0.1Zr). The cracking index was calculated for the alloys and results were fed into machine learning regression techniques including Multiple Linear Regression, Ridge Regression, and Lasso Regression to determine relative potency each alloying element had on computed solidification cracking index. A series of linear equations were produced that relate composition of C103 and TZM to solidification cracking index. The crack susceptibility of C103 for example is described by an equation of the form: cracking index ~ O + 0.667*C + 0.635*N + 0.00037*Ta – 0.0008*Hf (in wt.%) From that equation, it is clear that O has strong propensity to induce solidification cracking. Interestingly, Hf is shown to reduce calculated cracking response. Finally, realizing the potential of this method to discover new refractory alloy formulations across the period table that have low solidification cracking sensitivity, the code was applied to new untested alloy systems including W-Zr-C, W-Ta-C, and others. Conclusions. In summary, an open source numerical method has been developed using Python code to calculate Kou’s crack susceptibility index. The method was applied to refractory metals which are inherently difficult to study from a weldability testing standpoint since inert shielding gas is not sufficient and welding is typically done in vacuum, especially in light of findings presented here where oxygen has profound influence on solidification cracking. This work revealed the effect of compositional variations on a series of refractory metals and showed the framework defined here will be useful in 1) the development of new alloys that have improved weldability and 3D printability, 2) placing compositional limits on existing alloys, and 3) ensuring adequate controls of manufacturing processes such as 3D printing where powder reuse is critical. Keywords. pycalphad; Python; refractory metals; solidification cracking. References. B. Bocklund et. al. (2020) http://doi.org/10.5281/zenodo.3630657. S. Kou. (2015) https://doi.org/10.1016/j.actamat.2015.01.034. G.G. Lessmann and R.E. Gold. Welding Journal, issue 1, pp. 1-s – 8-s (1971). F.N. Michael and J.W. Sowards. NASA/TM-20230002218 (2023). R. Otis and Z.-K. Liu. (2017) http://doi.org/10.5334/jors.140. A. Van de Wallle et. al. (2018) https://doi.org/10.1016/j.calphad.2018.04.003.

pycalphad↗

DOE OSTI2025

SlimIO: Lightweight I/O Path Design for Write Isolation in FDP-backed In-Memory Databases

In-Memory Databases (IMDBs) are widely used with HPC applications to manage transient data, often using snapshot-based persistence for backups. Redis, a representative IMDB, employs both snapshot and Write-Ahead Log (WAL) mechanisms, storing data on persistent devices via the traditional kernel I/O path. This method incurs syscall overhead, I/O contention between processes, and SSD garbage collection (GC) delays. To address these issues, we propose SlimIO, which adopts I/O passthru to minimize syscall overhead and inter-process I/O interference. Additionally, it leverages Flexible Data Placement (FDP) SSDs as backup storage to avoid performance degradation from SSD GC. Experimental results show that SlimIO reduces snapshot time by up to 25%, increases query throughput by up to 30% during non-snapshot periods, and lowers 99.9%-ile latency by up to 50%. Furthermore, it achieves a write amplification factor (WAF) of 1.00, indicating no redundant internal writes, thus extending SSD lifespan.

Lee, Sangyun [Sogang University]↗