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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Homogenization of Dendritic Structures and the High-Temperature Strength of the Refractory High-Entropy Alloy MoNbTaVW

MoNbTaVW, a pioneering refractory high-entropy alloy (RHEA), is renowned for its exceptional strength at elevated temperatures. Like most RHEAs, it solidifies into a dendritic microstructure with steep concentration gradients, necessitating heat treatment for equilibration. Steep concentration gradients typically complicate mechanical property analysis and modeling, key challenges for high-throughput alloy discovery. This study examines the effects of high-temperature homogenization (1800 °C for 8 hours) on the microstructure and mechanical properties of MoNbTaVW across temperatures up to 1200 °C. Postmortem microstructural analysis, coupled with chemical, crystallographic, and mechanical assessments, revealed that yield strength was surprisingly insensitive to homogenization, with less than a 3 pct difference between as-cast and heat-treated materials. Nanoindentation confirmed minimal nanohardness changes across the dendritic structure at room temperature. However, homogenization significantly enhanced high-temperature work hardening, producing higher peak compressive strength. Both as-cast and homogenized MoNbTaVW exhibited room-temperature strengths of 1400 MPa, exceeding previously reported values. These findings demonstrate that high-temperature treatment enables microstructural homogenization without compromising strength, a unique behavior among RHEAs. In conclusion, while not universally applicable, this insight highlights the importance of understanding microstructural development in experimental alloys and offers a pathway to design alloys that achieve homogeneous-like properties without heat treatment.

Rietema, C. J. [Lawrence Livermore National Labora↗
NASA NTRS2015

Investigation of Unsteady Tip Clearance Flow in a Low-Speed One and Half Stage Axial Compressor with LES And PIV

The primary focus of this paper is to investigate how a rotor's unsteady tip clearance flow structure changes in a low speed one and half stage axial compressor when the rotor tip gap size is increased from 0.5 mm (0.49% of rotor tip blade chord, 2% of blade span) to 2.4 mm (2.34% chord, 4% span) at the design condition are investigated. The changes in unsteady tip clearance flow with the 0.62 % tip gap as the flow rate is reduced to near stall condition are also investigated. A Large Eddy Simulation (LES) is applied to calculate the unsteady flow field at these three flow conditions. Detailed Stereoscopic PIV (SPIV) measurements of the current flow fields were also performed at the Johns Hopkins University in a refractive index-matched test facility which renders the compressor blades and casing optically transparent. With this setup, the unsteady velocity field in the entire flow domain, including the flow inside the tip gap, can be measured. Unsteady tip clearance flow fields from LES are compared with the PIV measurements and both LES and PIV results are used to study changes in tip clearance flow structures. The current study shows that the tip clearance vortex is not a single structure as traditionally perceived. The tip clearance vortex is formed by multiple interlaced vorticities. Therefore, the tip clearance vortex is inherently unsteady. The multiple interlaced vortices never roll up to form a single structure. When phased-averaged, the tip clearance vortex appears as a single structure. When flow rate is reduced with the same tip gap, the tip clearance vortex rolls further upstream and the tip clearance vortex moves further radially inward and away from the suction side of the blade. When the tip gap size is increased at the design flow condition, the overall tip clearance vortex becomes stronger and it stays closer to the blade suction side and the vortex core extends all the way to the exit of the blade passage. Measured and calculated unsteady flow fields inside the tip gap agree fairly well. Instantaneous velocity vectors inside the tip gap from both the PIV and LES do show flow separation and reattachment at the entrance of tip gap as some earlier studies suggested. This area at the entrance of tip gap flow (the pressure side of the blade) is confined very close to the rotor tip section. With a small tip gap (0.5mm), the gap flow looks like a simple two-dimensional channel flow with larger velocity near the casing for both flow rates. A small area with a sharp velocity gradient is observed just above the rotor tip. This strong shear layer is turned radially inward when it collides with the incoming flow and forms the core structure of the tip clearance vortex. When tip gap size is increased to 2.4 mm at the design operation, the radial profile of the tip gap flow changes drastically. With the large tip gap, the gap flow looks like a two-dimensional channel flow only near the casing. Near the rotor top section, a bigger region with very large shear and reversed flow is observed.

compressor↗
NASA NTRS2015

Investigation of Unsteady Tip Clearance Flow in a Low-Speed One and Half Stage Axial Compressor with LES And PIV

The primary focus of this paper is to investigate how a rotor's unsteady tip clearance flow structure changes in a low speed one and half stage axial compressor when the rotor tip gap size is increased from 0.5 mm (0.49% of rotor tip blade chord, 2% of blade span) to 2.4 mm (2.34% chord, 4% span) at the design condition are investigated. The changes in unsteady tip clearance flow with the 0.62 % tip gap as the flow rate is reduced to near stall condition are also investigated. A Large Eddy Simulation (LES) is applied to calculate the unsteady flow field at these three flow conditions. Detailed Stereoscopic PIV (SPIV) measurements of the current flow fields were also performed at the Johns Hopkins University in a refractive index-matched test facility which renders the compressor blades and casing optically transparent. With this setup, the unsteady velocity field in the entire flow domain, including the flow inside the tip gap, can be measured. Unsteady tip clearance flow fields from LES are compared with the PIV measurements and both LES and PIV results are used to study changes in tip clearance flow structures. The current study shows that the tip clearance vortex is not a single structure as traditionally perceived. The tip clearance vortex is formed by multiple interlaced vorticities. Therefore, the tip clearance vortex is inherently unsteady. The multiple interlaced vortices never roll up to form a single structure. When phased-averaged, the tip clearance vortex appears as a single structure. When flow rate is reduced with the same tip gap, the tip clearance vortex rolls further upstream and the tip clearance vortex moves further radially inward and away from the suction side of the blade. When the tip gap size is increased at the design flow condition, the overall tip clearance vortex becomes stronger and it stays closer to the blade suction side and the vortex core extends all the way to the exit of the blade passage. Measured and calculated unsteady flow fields inside the tip gap agree fairly well. Instantaneous velocity vectors inside the tip gap from both the PIV and LES do show flow separation and reattachment at the entrance of tip gap as some earlier studies suggested. This area at the entrance of tip gap flow (the pressure side of the blade) is confined very close to the rotor tip section. With a small tip gap (0.5mm), the gap flow looks like a simple two-dimensional channel flow with larger velocity near the casing for both flow rates. A small area with a sharp velocity gradient is observed just above the rotor tip. This strong shear layer is turned radially inward when it collides with the incoming flow and forms the core structure of the tip clearance vortex. When tip gap size is increased to 2.4 mm at the design operation, the radial profile of the tip gap flow changes drastically. With the large tip gap, the gap flow looks like a two-dimensional channel flow only near the casing. Near the rotor top section, a bigger region with very large shear and reversed flow is observed.

unsteady↗
DOE OSTI2022

High Performance Computing to Quantify the Evolution of Microscopic Concentration Gradients During Flash Processing

During the Flash process, the cross section of a plain-carbon or a low-alloy steel is austenitized through rapid heating and transformed on rapid cooling to a predominantly martensite + bainite structure with small amounts of retained austenite. Unlike conventional heat treating, homogeneity is intentionally avoided during Flash processing of steels. The Flash process assembly consists of a pair of rolls that transfer the steel sheets through the heating and cooling stage of the thermal cycle. The initial microstructure of the steel consists of ferrite (body-centered cubic iron) + carbide ((Fe,X)mCn) mixture. The heating rate through the peak temperature is a function of temperature and reaches a peak of about 300-400°C/s and the cooling rate has a maximum value of 3,000-4,000°C/s. The on-heating phase transformations include carbide dissolution, austenite (face-centered cubic iron) nucleation and growth, and diffusion of carbon and other substitutional elements in the steel. The on-cooling phase transformations include formation of martensite (body-centered tetragonal phase containing supersaturated solute) and bainite (ferrite plates with or without fine carbides). In this project, the focus is on Fe-C-Cr steels that are currently Flash processed for armor applications. The modeling effort proposed here will help optimize the Flash thermal cycle for these low alloy steels to achieve the target performance, which is an ongoing effort at SFP Works. A significant feature of Flash processed Fe-C-Cr steels is the presence of scatter in the through-thickness in the sheet. The variability in hardness results from a variability in the bainite + martensite microstructure that is sensitive to the local chemical concentration of C and Cr. Such a chemical inhomogeneity is intentionally obtained in the Flash process. Although such a microstructural gradient is presumably responsible for the exceptional properties of the Flash processed steel, it is very important to quantify the gradients as a function of Flash variabilities in processing parameters and the input microstructure. Understanding the mechanistic pathway that leads to microstructural gradients could be ground-breaking and instrumental for achieving better process control and optimized microstructural state to meet application-specific strength-ductility requirements. Since the final microstructure depends on setting up precise solute concentration gradients through a rapid heating process, and transforming these regions into various phases, it is important to understand how small changes in steel chemistry, input microstructure (carbide size and distribution), and process variables (Flash thermal cycle) will impact the solute concentration gradients.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2010

Updates to Multi-Dimensional Flux Reconstruction for Hypersonic Simulations on Tetrahedral Grids

The quality of simulated hypersonic stagnation region heating with tetrahedral meshes is investigated by using an updated three-dimensional, upwind reconstruction algorithm for the inviscid flux vector. An earlier implementation of this algorithm provided improved symmetry characteristics on tetrahedral grids compared to conventional reconstruction methods. The original formulation however displayed quantitative differences in heating and shear that were as large as 25% compared to a benchmark, structured-grid solution. The primary cause of this discrepancy is found to be an inherent inconsistency in the formulation of the flux limiter. The inconsistency is removed by employing a Green-Gauss formulation of primitive gradients at nodes to replace the previous Gram-Schmidt algorithm. Current results are now in good agreement with benchmark solutions for two challenge problems: (1) hypersonic flow over a three-dimensional cylindrical section with special attention to the uniformity of the solution in the spanwise direction and (2) hypersonic flow over a three-dimensional sphere. The tetrahedral cells used in the simulation are derived from a structured grid where cell faces are bisected across the diagonal resulting in a consistent pattern of diagonals running in a biased direction across the otherwise symmetric domain. This grid is known to accentuate problems in both shock capturing and stagnation region heating encountered with conventional, quasi-one-dimensional inviscid flux reconstruction algorithms. Therefore the test problems provide a sensitive indicator for algorithmic effects on heating. Additional simulations on a sharp, double cone and the shuttle orbiter are then presented to demonstrate the capabilities of the new algorithm on more geometrically complex flows with tetrahedral grids. These results provide the first indication that pure tetrahedral elements utilizing the updated, three-dimensional, upwind reconstruction algorithm may be used for the simulation of heating and shear in hypersonic flows in upwind, finite volume formulations.

Gnoffo, Peter A.↗
NASA NTRS1997

The 4-Day Wave as Observed from the Upper Atmosphere Research Satellite Microwave Limb Sounder

The "4-day wave" is an eastward moving quasi-nondispersive feature with period near 4 days occurring near the winter polar stratopause. This paper presents evidence of the 4-day feature in Microwave Limb Sounder (MLS) temperature, geopotential height, and ozone data from the late southern winters of 1992 and 1993. Space-time spectral analyses reveal a double-peaked temperature structure consisting of one peak near the stratopause and another in the lower mesosphere, with an out-of-phase relationship between the two peaks. This double- peaked structure is reminiscent of recent three-dimensional barotropic/baroclinic instability model predictions and is observed here for the first time. The height variation of the 4-day ozone signal is shown to compare well with a linear advective-photochemical tracer model. Negative regions of quasigeostrophic potential vorticity (PV) gradient and positive Eliassen-Palm flux divergence are shown to occur, consistent with instability dynamics playing a role in wave forcing. Spectral analyses of PV derived from MLS geopotential height fields reveal a 4-day signal peaking near the polar stratopause. The three-dimensional structure of the 4-day wave resembles the potential vorticity "charge" concept, wherein a PV anomaly in the atmosphere (analogous to an electrical charge in a dielectric material) induces a geopotential field, a vertically oriented temperature dipole, and circulation about the vertical axis.

Allen, D. R.↗
NASA NTRS2005

Effects of artificial defoliation of pines on the structure and physiology of the soil fungal community of a mixed pine-spruce forest

Loss of photosynthetic area can affect soil microbial communities by altering the availability of fixed carbon. We used denaturing gradient gel electrophoresis (DGGE) and Biolog filamentous-fungus plates to determine the effects of artificial defoliation of pines in a mixed pine-spruce forest on the composition of the fungal community in a forest soil. As measured by DGGE, two fungal species were affected significantly by the defoliation of pines (P < 0.001); the frequency of members of the ectomycorrhizal fungus genus Cenococcum decreased significantly, while the frequency of organisms of an unidentified soil fungus increased. The decrease in the amount of Cenococcum organisms may have occurred because of the formation of extensive hyphal networks by species of this genus, which require more of the carbon fixed by their host, or because this fungus is dependent upon quantitative differences in spruce root exudates. The defoliation of pines did not affect the overall composition of the soil fungal community or fungal-species richness (number of species per core). Biolog filamentous-fungus plate assays indicated a significant increase (P < 0.001) in the number of carbon substrates utilized by the soil fungi and the rate at which these substrates were used, which could indicate an increase in fungal-species richness. Thus, either small changes in the soil fungal community give rise to significant increases in physiological capabilities or PCR bias limits the reliability of the DGGE results. These data indicate that combined genetic and physiological assessments of the soil fungal community are needed to accurately assess the effect of disturbance on indigenous microbial systems.

Pinus/growth & development/physiology↗
DOE OSTI2021

Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations

The quasiparticle band structure can be properly described by Hedin's GW approximation (GW), at a high computational cost. For band gaps, semilocal density functionals up to the generalized gradient approximation (GGA) level cannot compete with the accuracy of hybrid-based approximations or GW. Meta-GGA density functionals with a strong dependence on the kinetic energy density ingredient can potentially give wider band gaps compared with GGAs. The recent TASK meta-GGA density functional from Aschebrock and Kümmel [ Phys. Rev. Research 1 , 033082 (2019) ], is constructed with an enhanced nonlocality in the generalized Kohn-Sham scheme and therefore harbors great opportunities for band gap prediction. Although this approximation was found to yield excellent band gaps of bulk solids, this accuracy cannot be straightforwardly transferred to low-dimensional materials. Additionally, the reduced screening of these materials results in larger band gaps compared with their bulk counterparts, as an additional barrier to overcome. In this paper we demonstrate how the alteration of this functional affects the band gaps of monolayers and nanoribbons and present accurate band gaps competing with the revised Heyd-Scuseria-Ernzerhof (HSE06) approximation. In order to achieve this goal, we have modified the TASK functional (a) by changing the tight upper bound for one- or two-electron systems ( h X 0 ) from 1.174 to 1.29 and (b) by changing the limit of the interpolation function f X ( α → ∞ ) of the TASK functional that interpolates the exchange enhancement factor F X ( s , α ) from α = 0 to 1. The resulting modified TASK (mTASK) was tested for various materials from three dimensions to two dimensions to one dimension (nanoribbons) and was compared with the results of the higher-level hybrid functional HSE06 or with the G 0 W 0 approximation within many-body perturbation theory. We find that mTASK systematically improves the band gaps and band structures of two-dimensional (2D) and 1D systems, without significantly affecting the accuracy of the original TASK for the bulk 3D materials, when compared with the Perdew-Burke-Ernzerhof (PBE) GGA and the strongly constrained and appropriately normed (SCAN) meta-GGA. We further demonstrate the applicability of mTASK by assessing the band structures of transition metal dichalcogenide nanoribbons with respect to various bending curvatures.

36 MATERIALS SCIENCE↗
NASA NTRS2004

A Study of Penalty Function Methods for Constraint Handling with Genetic Algorithm

COMETBOARDS (Comparative Evaluation Testbed of Optimization and Analysis Routines for Design of Structures) is a design optimization test bed that can evaluate the performance of several different optimization algorithms. A few of these optimization algorithms are the sequence of unconstrained minimization techniques (SUMT), sequential linear programming (SLP) and the sequential quadratic programming techniques (SQP). A genetic algorithm (GA) is a search technique that is based on the principles of natural selection or "survival of the fittest". Instead of using gradient information, the GA uses the objective function directly in the search. The GA searches the solution space by maintaining a population of potential solutions. Then, using evolving operations such as recombination, mutation and selection, the GA creates successive generations of solutions that will evolve and take on the positive characteristics of their parents and thus gradually approach optimal or near-optimal solutions. By using the objective function directly in the search, genetic algorithms can be effectively applied in non-convex, highly nonlinear, complex problems. The genetic algorithm is not guaranteed to find the global optimum, but it is less likely to get trapped at a local optimum than traditional gradient-based search methods when the objective function is not smooth and generally well behaved. The purpose of this research is to assist in the integration of genetic algorithm (GA) into COMETBOARDS. COMETBOARDS cast the design of structures as a constrained nonlinear optimization problem. One method used to solve constrained optimization problem with a GA to convert the constrained optimization problem into an unconstrained optimization problem by developing a penalty function that penalizes infeasible solutions. There have been several suggested penalty function in the literature each with there own strengths and weaknesses. A statistical analysis of some suggested penalty functions is performed in this study. Also, a response surface approach to robust design is used to develop a new penalty function approach. This new penalty function approach is then compared with the other existing penalty functions.

Ortiz, Francisco↗
NASA NTRS1989

LACE flight dynamics experiment

The Low Power Atmospheric Compensation Experiment (LACE) is scheduled for launch in late 1989 into a 556 km altitude circular orbit of 43 deg inclination. The LACE flight dynamics experiment is an experiment secondary to the primary LACE mission. The purpose of the experiment is to provide on-orbit systems identification of the LACE spacecraft. The structure of the LACE spacecraft is of special interest to the CSI community. It incorporates 3 deployable/retractable booms of maximum length 45.72 m (150 ft) mounted on a rectangular parallelepiped bus of mass 1,200 kg. The zenith directed gravity gradient boom is mounted on the top of the bus; the retroreflector boom is mounted forward and deployed along the velocity vector, the balance boom is mounted and pointed aft. Attitude stabilization is accomplished by means of gravity gradient torques and by a momentum wheel. The LACE flight dynamics experiment is designed to measure modal frequencies, damping ratios, and oscillation amplitudes of the LACE spacecraft, as well as the vibration intensity generated by boom deployments and retractions. It is anticipated that this experiment will provide an opportunity for improvements in the accuracy of computer simulations of flexible structures and multibody dynamics.

Fisher, Shalom↗
DOE OSTI2024

Microscopic understanding of the effects of impurities in low RRR SRF cavities

The SRF community has shown that introducing certain impurities into high-purity niobium can improve quality factors and accelerating gradients. We question why some impurities improve RF performance while others hinder it. The purpose of this study is to characterize the impurities of niobium coupons with a low residual resistance ratio (RRR) and correlate these impurities with the RF performance of low RRR cavities so that the mechanism of impurity-based improvements can be better understood and improved upon. The combination of RF testing, temperature mapping, frequency vs temperature analysis, and materials studies reveals a microscopic picture of why low RRR cavities experience low BCS resistance behavior more prominently than their high RRR counterparts. We evaluate how differences in the mean free path, grain structure, and impurity profile affect RF performance. The results of this study have the potential to unlock a new understanding on SRF materials and enable the next generation of high Q/high gradient surface treatments.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Microscopic Understanding of the Effects of Impurities in Low RRR SRF Cavities

The SRF community has shown that introducing certain impurities into high-purity niobium can improve quality factors and accelerating gradients. We question why some impurities improve RF performance while others hinder it. The purpose of this study is to characterize the impurities of niobium coupons with a low residual resistance ratio (RRR) and correlate these impurities with the RF performance of low RRR cavities so that the mechanism of impurity-based improvements can be better understood and improved upon. The combination of RF testing, temperature mapping, frequency vs temperature analysis, and materials studies reveals a microscopic picture of why low RRR cavities experience low BCS resistance behavior more prominently than their high RRR counterparts. We evaluate how differences in the mean free path, grain structure, and impurity profile affect RF performance. The results of this study have the potential to unlock a new understanding on SRF materials and enable the next generation of high Q/high gradient surface treatments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Microscopic Understanding of the Effects of Impurities in Low RRR SRF Cavities

The SRF community has shown that introducing certain impurities into high-purity niobium can improve quality factors and accelerating gradients. We question why some impurities improve RF performance while others hinder it. The purpose of this study is to characterize the impurities of niobium coupons with a low residual resistance ratio (RRR) and correlate these impurities with the RF performance of low RRR cavities so that the mechanism of impurity-based improvements can be better understood and improved upon. The combination of RF testing, temperature mapping, frequency vs temperature analysis, and materials studies reveals a microscopic picture of why low RRR cavities experience low BCS resistance behavior more prominently than their high RRR counterparts. We evaluate how differences in the mean free path, grain structure, and impurity profile affect RF performance. The results of this study have the potential to unlock a new understanding on SRF materials and enable the next generation of high Q/high gradient surface treatments.

Howard, K.↗
DOE OSTI2024

Microscopic understanding of the effects of impurities in low RRR SRF cavities

The SRF community has shown that introducing certain impurities into high-purity niobium can improve quality factors and accelerating gradients. We question why some impurities improve RF performance while others hinder it. The purpose of this study is to characterize the impurities of niobium coupons with a low residual resistance ratio (RRR) and correlate these impurities with the RF performance of low RRR cavities so that the mechanism of impurity-based improvements can be better understood and improved upon. The combination of RF testing, temperature mapping, frequency vs temperature analysis, and materials studies reveals a microscopic picture of why low RRR cavities experience low BCS resistance behavior more prominently than their high RRR counterparts. We evaluate how differences in the mean free path, grain structure, and impurity profile affect RF performance. The results of this study have the potential to unlock a new understanding on SRF materials and enable the next generation of high Q/high gradient surface treatments.

Howard, K.↗
DOE OSTI2021

Simultaneous x-ray and neutron 4D tomographic study of drying-driven hydro-mechanical behavior of cement-based materials at moderate temperatures

The drying of cement-based materials is intimately related to their durability, which has significant economic, social and environmental repercussions. The evolution of the saturation of the pore network and the associated drying shrinkage are in fact leading causes of cracking and of the ensuing penetration of aggressive chemicals. This process is highly heterogeneous, due to the thermo-hydric spatial gradients developing in the material from the exposed surfaces to its core and because of local effects, driven by the intrinsically heterogeneous micro-structure (e.g., by the distribution of pores and aggregates). It follows that macroscopic, sample-scale measurements cannot fully disclose the complexity of the underlying processes. In the last few decades, significant advances in full-field techniques have allowed an unprecedented insight into these local processes. For cement-based materials, x-ray and neutron tomography lend themselves as ideal, and highly complementary, tools for the study of their thermo-hydro-mechanical behavior. Notably, the high sensitivity to density variations of x-ray imaging gives access to the developments of fractures, in 4D (3D + time). On the other hand, neutron tomography allows the study of the evolution of the moisture field in 4D, thanks to its high hydrogen sensitivity. The combination of these two techniques provides a unique insight in thermo-hydro-mechanical couplings, e.g., the effect of cracks on the water content field. This contribution presents novel 5D datasets (3D tomographies along time, plus truly simultaneous x-ray and Neutron rapid acquisitions) in-operando of a cement paste and of a concrete sample heated at moderate temperatures (up to 140{sup ∘}C). The analysis of this 5D data-set (once aligned in time and across modalities) allows for example a quantification of the 4D moisture profiles which were found to predict an overall water loss at hydric equilibrium coherent with the corresponding analytical analysis. In the cement paste sample, the x-ray dataset captures the evolution of an extensive cracking network, opening and propagation toward the core of the sample. A novel analysis procedure is here proposed which allows the extraction of these fractures and the analysis of their interplay with local drying as captured through neutron imaging. This for example reveals the depth of penetration of drying in the vicinity of the fractures along time, which is essential for the assessment and calibration of hydro-mechanical coupled models.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Shape optimization under uncertainty for rotor blades of horizontal axis wind turbines

We present a computational framework for the shape optimization of a Horizontal-Axis Wind Turbine (HAWT) rotor blade under uncertainty. Our framework integrates aerodynamic simulations based on the blade element method which utilizes reduced order models of the blade structure and wind load with design sensitivity analysis and nonlinear programming. The wind velocity is modeled as a stochastic process to account for variations in time and space. An additional stochastic process accounts for uncertainties in the structural material properties. The uncertainty propagation is based on a non-intrusive polynomial chaos expansion that allows accurate estimation of stochastic performance metrics such as generated power and structural compliance. Sensitivities of cost and constraint functions with respect to shape parameters namely twist angles are computed with an efficient scheme to enable gradient based optimization. To demonstrate the effect of uncertainty, designs obtained from optimization under uncertainty are compared to those obtained from deterministic optimization.

42 ENGINEERING↗
DOE OSTI2020

Exchange of Ions across the TiN/TaO x Interface during Electroformation of TaO x -Based Resistive Switching Devices

The valence change model describes the resistive switching in metal oxide-based devices as due to electroreduction of the oxide and subsequent electromigration of oxygen vacancies. Here, we present cross-sectional X-ray energy-dispersive spectroscopy elemental maps of Ta, O, N, and Ti in electroformed TiN/TaO 2.0 /TiN structures. O, N, and Ti were exchanged between the anode and the functional oxide in devices formed at high power (~1 mW), but the exchange was below the detection limit at low power (<0.5 mW). All structures exhibit a similar Ta-enriched and O-depleted filament formed by the elemental segregation in the functional oxide by the temperature gradient. The elemental interchange is interpreted as due to Fick’s diffusion caused by high temperatures in the gap of the filament and is not an essential part of electroformation.

36 MATERIALS SCIENCE↗