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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Concentration Dependence of Solution Shear Viscosity and Solute Mass Diffusivity in Crystal Growth from Solutions

The physical properties of a supersaturated binary solution such as its density rho, shear viscosity eta, and solute mass diffusivity D are dependent on the solute concentration c: rho = rho(c), eta = eta(c), and D = D(c). The diffusion boundary layer equations related to crystal growth from solution are derived for the case of natural convection with a solution density, a shear viscosity, and a solute diffusivity that are all depen- dent on solute concentration. The solution of these equations has demonstrated the following. (1) At the vicinity of the saturation concentration c(sub s) the solution shear viscosity eta depends on rho as eta(sub s) = eta(rho(sub s))varies as square root of rho(c(sub s)). This theoretically derived result has been verified in experiments with several aqueous solutions of inorganic and organic salts. (2) The maximum solute mass transfer towards the growing crystal surface can be achieved for values of c where the ratio of d ln(D(c)/dc) to d ln(eta(c)/dc) is a maximum.

Izmailov, Alexander F.↗
NASA NTRS2013

Elastic-Plastic J-Integral Solutions or Surface Cracks in Tension Using an Interpolation Methodology. Appendix C -- Finite Element Models Solution Database File, Appendix D -- Benchmark Finite Element Models Solution Database File

No closed form solutions exist for the elastic-plastic J-integral for surface cracks due to the nonlinear, three-dimensional nature of the problem. Traditionally, each surface crack must be analyzed with a unique and time-consuming nonlinear finite element analysis. To overcome this shortcoming, the authors have developed and analyzed an array of 600 3D nonlinear finite element models for surface cracks in flat plates under tension loading. The solution space covers a wide range of crack shapes and depths (shape: 0.2 less than or equal to a/c less than or equal to 1, depth: 0.2 less than or equal to a/B less than or equal to 0.8) and material flow properties (elastic modulus-to-yield ratio: 100 less than or equal to E/ys less than or equal to 1,000, and hardening: 3 less than or equal to n less than or equal to 20). The authors have developed a methodology for interpolating between the goemetric and material property variables that allows the user to reliably evaluate the full elastic-plastic J-integral and force versus crack mouth opening displacement solution; thus, a solution can be obtained very rapidly by users without elastic-plastic fracture mechanics modeling experience. Complete solutions for the 600 models and 25 additional benchmark models are provided in tabular format.

Allen, Phillip A.↗
DOE OSTI2025

Solute clustering in polycrystals: Unveiling the interplay of grain boundary junction and long-range solute attraction effects

Spectral analysis of local atomic environments has become a powerful tool for studying solute atom segregation and interactions at grain boundaries in nanocrystalline alloys. When applied to individual grain boundaries, the spectral analysis has shown that solute-solute interaction can be either attractive or repulsive, with long-range relative attraction enhancing the likelihood for solute atoms to begin clustering. In this article, we combine this analysis with a new grain-boundary structure descriptor based on grain-boundary atom coordination, to investigate the impact of grain-boundary junctions on solute atom segregation in polycrystals. Specifically, we systematically characterize the tendency of solute clusters to begin forming at various types of ordinary grain boundaries, triple junctions, and high-order junctions in Ag polycrystals containing either Ni or Cu solute atoms. Our findings demonstrate that the formation of solute clusters at grain boundaries is primarily driven by long-range relative solute attraction, rather than short-range solute-solute interactions. Furthermore, this effect is most pronounced near grain-boundary junctions. Our study highlights the multiscale nature of solute segregation at crystalline interfaces and provides new insights into the complex phenomena governing heterogeneous solute segregation in grain-boundary networks.

Grain-boundary junction↗
DOE OSTI2026

A first principles approach for determining solute effect on electrical resistivity of Aluminum solid solution

There are no general approaches for predicting the effect of solutes on electrical resistivity changes in aluminum (Al) solid solutions. Here, we introduce a first principles-based approach for predicting temperature-dependent electrical resistivity of Al solid solutions. A combination of electronic structure methods was applied to calculate electronic scattering effects on chemical disorder and temperature induced atomic vibrations or phonons. Our calculations are validated by contrasting experimental resistivity measurements for two elements in Al solid solution: at 0.3 at. % concentration, Sn (an sp-valence solute) increases the residual resistivity by 0.2 μΩ·m, whereas Zr (a d-valence solute) causes a 2.5 μΩ·m increase. This trend may deviate for solute elements in Al that form semiconductors in pure state, like Si. Our findings provide an understanding of the role of valence electron character of solute atoms in determining electrical resistivity of Al alloys.

Samolyuk, German [ORNL] (ORCID:0000000168778255)↗
DOE OSTI2025

Solid solutions limited by grain-boundary solute clustering in ultrafine-grained alloys

Immiscible Ag-Cu alloys exhibit complex behavior due to varying Cu solid solubilities reported under equilibrium and metastable conditions. In ultrafine-grained alloys, these limits are further complicated by a high fraction of grain boundaries, where solute atoms tend to segregate and, in some cases, form clusters. Here, this study investigates the influence of Cu solute segregation and clustering on solid-solution limits in ultrafine-grained Ag-Cu alloys synthesized by magnetron sputtering with varying Cu content. X-ray diffraction peak shifts reveal a solid-solution concentration plateau for Cu contents from 4.9 to 11.7 at %, in contrast to the peak shifts predicted by density-functional theory for Ag-Cu alloys. Scanning transmission electron microscopy further reveals limited solid solubility and the formation of numerous Cu-rich clusters at grain boundaries. Atomistic simulations demonstrate that such limited solubility does not arise from grain boundary segregation alone, but only when strong solute-solute interactions promote the formation of grain-boundary Cu solute clusters.

Density-functional theory↗
NASA NTRS1981

Solution of complex nonlinear problems by a generalized application of the method of base and comparison solutions with applications to aerodynamics problems

A theory for obtaining approximate solutions to nonlinear problems whose exact solutions require the use of large computational procedures is described. The technique represents in some respects a generalization of the method of base and comparison solutions for flows depending on a parameter. For the generalized problem, the input variable is no longer a parameter but a function that is incremented over its entire domain. After performing calculations for a base configuration and a small number of variations of it, solutions for a large class of configurations can be obtained by forming linear combinations of the solution increments. For a restricted class of problems, approximate solutions can be obtained for general variations of a base configuration by using a function-space derivative estimate obtained from a base solution and a single variation.

Barger, R. L.↗
NASA NTRS1981

Periodic solutions about the collinear Lagrangian solution in the general problem of three bodies

The article describes the solutions near Lagrange's circular collinear configuration in the planar problem of three bodies with three finite masses. The article begins with a detailed review of the properties of Lagrange's collinear solution. Lagrange's quintic equation is derived and several expressions are given for the angular velocity of the rotating frame. The equations of motion are then linearized near the circular collinear solution, and the characteristic equation is also derived in detail. The different types of roots and their corresponding solutions are discussed. The special case of two equal outer masses receives special attention, as well as the special case of two small outer masses. Finally, the fundamental family of periodic solutions is extended by numerical integration all the way up to and past a binary collision orbit. The stability and the bifurcations of this family are briefly enumerated.

Broucke, R.↗
DOE OSTI2025

Faster solutions to the interdiction defense problem using suboptimal solutions

The interdiction defense (ID) problem solves a defender-attacker-defender model where the defender and attacker share the same set of components to harden and target. Here, we build upon the best response intersection (BRI) algorithm by developing the BRI with suboptimal solutions (BRI-SS) algorithm to solve the ID problem. The BRI-SS algorithm utilizes off-the-shelf optimization solvers that return suboptimal solutions at no additional computation cost. We derive novel cuts from suboptimal solutions, reducing the number of iterations required for the algorithm to converge while maintaining optimality guarantees. We also present a heuristic that utilizes all obtained suboptimal solutions to select the next defense to evaluate at each iteration. We perform computational experiments applied to power grid interdiction on standard test cases. Our results demonstrate that the BRI-SS algorithm consistently outperforms the BRI algorithm across all test cases.

Computer science↗
NASA NTRS1993

Effects of thermal-solutal convection on temperature and solutal fields under various gravitational orientations

Semiconductor crystals such as Hg(1-x)CD(x)Te grown by unidirectional solidification Bridgmann method have shown compositional segregations in both the axial and radial directions. Due to the wide separation between the liquidus and the solidus of its pseudobinary phase diagram, there is a diffusion layer of higher HgTe content built up in the melt near the melt-solid interface which gives a solute concentration gradient in the axial direction. The value of effective diffusion coefficient calculated from fitting of the data to 1D model varies with Hg(1-x)Cd(x)Te growth conditions. This indicates that the growth condition of the Hg(1-x)Cd(x)Te is not purely diffusion controlled. Because of the higher thermal conductivity in the melt than that in the crystal in the growth system, there is a thermal leakage through the fused silica crucible wall near the melt-solid interface. This gives a thermal gradient in the radial direction. Hart, and Thorpe, Hutt and Soulsby have shown that under such conditon a fluid will become convectively unstable as a result of different diffusitivities of temperature and solute. It is quite important to understand the effects of this thermosolute convection on the compositonal segregation in both axial and radial directions in the unidirectionally solidified crystals under various gravitational directions. To reach this goal, we start with a simplified problem to study the effects of thermal-solutal convection on the temperature and solutal fields under various gravitional orientations. We begin by reviewing model governing equations.

Wang, Jai-Ching↗
DOE OSTI2024

Hydrothermal solution calorimetry in acidic aqueous solutions and revisiting the standard partial molal thermodynamic properties of Nd 3+ from 25 to 300 °C

The mobility of rare earth elements (REE) can be predicted in aqueous fluids using geochemical modeling but the accuracy of these models strongly depends on the availability of robust thermodynamic properties for the REE aqueous species. The REE 3+ aqua ions are important in the derivation of the formation constants of all the major REE complexes including the chloride, sulfate, and fluoride species which predominate in many hydrothermal-magmatic systems. However, the thermodynamic properties of the REE 3+ aqua ions are still commonly derived from the Helgeson-Kirkham-Flowers (HKF) equation of state parameters tabulated several decades ago. The standard state thermodynamic properties at reference conditions (25 °C and 1bar) and their extrapolations to high temperature need to be verified, if not revised, based on hydrothermal experiments. In this study, the enthalpy of solution was measured for synthetic Nd hydroxide from 25 to 150 ºC to retrieve the standard partial molal thermodynamic properties of Nd 3+ as a function of temperature. The experiments were conducted in aqueous perchloric acid based solutions with starting pH of 2 and varying ionic strength (0.01 to 0.09 mol/kg NaClO 4 ). The standard partial molal enthalpy of formation (Δ f H°) of Nd 3+ derived from the experimental study displays differences of up to 10 kJ/mol compared to the enthalpy values derived from the HKF equation of state in the studied temperature range. These inaccuracies are resolved by adjusting the standard partial molal Gibbs energy of formation (Δ f G°) of Nd 3+ at 25 °C and 1 bar from -672.0 to -679.7 kJ/mol. The heat capacity function (C p °) derived between 25 and 150 ºC can be described by: C p ° = a 0 + a 1 ·T + a 2 ·T -2 , with a 0 = 1256, a 1 = -2.68, a 2 = -55.56·10 6 and T in Kelvin. A set of recommended thermodynamic properties is provided for the Nd 3+ aqua ions and corrections are provided for the chloride and fluoride species to remain internally consistent with the experimentally derived properties. These results allow predicting accurately the solubility of monazite between 25 and 300 ºC. Before these corrections, the properties for the Nd 3+ aqua ions derived from the HKF parameters resulted in up to ~1.5 orders of magnitude lower monazite solubility than determined experimentally. Here, a revision of the REE +3 aqua ions properties is necessary to accurately predict the mobility of REE in hydrothermal acidic solutions.

58 GEOSCIENCES↗
NASA NTRS1975

Perturbation solution of the Navier-Stokes equations and its relation to the Lighthill-Curle solution of aerodynamic sound

The aerodynamic sound described by the Lighthill-Curle solution is reexamined using a method of matched asymptotic expansions. The governing Navier-Stokes equations written in nondimensional form are expanded for a small Mach number. First- and second-order solutions for the pressure field are obtained, and the singular nature of the expansion at large distances is indicated. The nearfield pressure is governed by the Poisson equation, whereas the farfield equations describe a linear wave system in a dissipative medium. The pseudosound is related to the incompressible Reynolds stresses associated with a solenoidal velocity field, the velocity, the pressure perturbation, and their derivatives on the boundaries. A uniformly valid first-order solution for the pressure is obtained. It is shown that viscosity, thermal conductivity, and entropy in the flow do not contribute to the first-order noise generation, while the viscous stress contributes to noise only from some boundaries. The application of the proposed perturbation method to a subsonically moving surface and a hot jet is discussed.

Pan, Y. S.↗
NASA NTRS1984

Comparison of uniform perturbation solutions and numerical solutions for some potential flows past slender bodies

Approximate solutions for potential flow past an axisymmetric slender body and past a thin airfoil are calculated using a uniform perturbation method and then compared with either the exact analytical solution or the solution obtained using a purely numerical method. The perturbation method is based upon a representation of the disturbance flow as the superposition of singularities distributed entirely within the body, while the numerical (panel) method is based upon a distribution of singularities on the surface of the body. It is found that the perturbation method provides very good results for small values of the slenderness ratio and for small angles of attack. Moreover, for comparable accuracy, the perturbation method is simpler to implement, requires less computer memory, and generally uses less computation time than the panel method. In particular, the uniform perturbation method yields good resolution near the regions of the leading and trailing edges where other methods fail or require special attention.

Wong, T. C.↗
NASA NTRS1993

Solute-Filled Syringe For Formulating Intravenous Solution

Prefilled syringe contains premeasured amount of solute in powder or concentrate form used to deliver solute to sterile interior of large-volume parenteral (LVP) bag. Predetermined amount of sterile water also added to LVP bag through sterilizing filter, and mixed with contents of syringe, yielding sterile intravenous solution of specified concentration.

Owens, Jim↗
NASA NTRS1992

Multigrid solution of internal flows using unstructured solution adaptive meshes

This is the final report of the NASA Lewis SBIR Phase 2 Contract Number NAS3-25785, Multigrid Solution of Internal Flows Using Unstructured Solution Adaptive Meshes. The objective of this project, as described in the Statement of Work, is to develop and deliver to NASA a general three-dimensional Navier-Stokes code using unstructured solution-adaptive meshes for accuracy and multigrid techniques for convergence acceleration. The code will primarily be applied, but not necessarily limited, to high speed internal flows in turbomachinery.

Smith, Wayne A.↗
NASA NTRS2000

Phase Shift Interferometer and Growth Set Up to Step Pattern Formation During Growth From Solutions. Influence of the Oscillatory solution Flow on Stability

We have assembled an experimental setup based on Michelson interferometry with the growing crystal surface as one of the reflective surfaces. The crystallization part of the device allows optical monitoring of a face of a crystal growing at temperature stable within 0.05 C in a flow of solution of controlled direction and speed. The reference arm of the interferometer contains a liquid crystal element that allows controlled shifts of the phase of the interferograms. We employ an image-processing algorithm, which combines five images with a pi/2 phase difference between each pair of images. The images are transferred to a computer by a camera capable of capturing 60 frames per second. The device allows data collection on surface morphology and kinetics during the face layers growth over a relatively large area (approximately 4 sq. mm) in situ and in real time during growth. The estimated depth resolution of the phase shifting interferometry is approximately 50 Angstroms. The data will be analyzed in order to reveal and monitor step bunching during the growth process. The crystal chosen as a model for study in this work is KH2PO4 (KDP). This optically non-linear material is widely used in frequency doubling applications. There have been a number of studies of the kinetics of KDP crystallization that can serve as a benchmark for our investigations. However, so far, systematic quantitative characteristics of step interaction and bunching are missing. We intend to present our first quantitative results on the onset, initial stages and development of instabilities in moving step trains on vicinal crystal surfaces at varying supersaturation, flow rate, and flow direction. Behavior of a vicinal face growing from solution flowing normal to the steps and periodically changing its direction in time was considered theoretically. It was found that this oscillating flow reduces both stabilization and destabilization effects resulted from the unidirectional solution flow directed up the step stream and down the step stream. This reduction of stabilization and destabilization comes from effective mixing which entangles the phase shifts between the spatially periodic interface perturbation and the concentration wave induced by this perturbation. Numerical results and simplified mixing criterion will be discussed.

Chernov, Alex A.↗
DOE OSTI2025

Magnetism in EuAlSi and the Eu 1−𝑥 ⁢Sr 𝑥 ⁢ AlSi solid solution solid solution

The magnetic properties of EuAlSi, a compound comprising a honeycomb lattice of Al/Si atoms and a triangular lattice of Eu atoms, are presented. By means of single-crystal x-ray diffraction, we find that EuAlSi crystallizes in an AlB 2 -type structure with space group 𝑃⁢6/mmm and unit cell parameters 𝑎 = 4.2229⁢ (10) ⁢Å and 𝑐 = 4.5268 ⁢(12)⁢ Å. Our magnetic measurements indicate that EuAlSi is a soft ferromagnetic material with 𝑇 Curie = 25.8 K. The susceptibility follows the Curie-Weiss law at high temperatures, which allowed us to determine the paramagnetic Curie temperature 𝜃 𝑃 = 36.2 ⁢(1) ⁢K and an effective magnetic moment 𝜇 eff = 8.07 ⁢(1)⁢ µ 𝐵 /Eu. This value is in agreement with the theoretical value of 7.9 µ 𝐵 for Eu 2+ free ion. Moreover, we have prepared the Eu 1−𝑥 ⁢Sr 𝑥 ⁢ AlSi solid solution, where the atoms in the triangular lattice were systematically exchanged, in order to study the evolution of the collective quantum properties from the ferromagnetic EuAlSi toward the superconducting SrAlSi. Across the Eu 1−𝑥 ⁢Sr 𝑥 AlSi solid solution, the unit cell parameters change linearly, following Vegard’s law, and making the system reliable for studying composition dependence of the interplay between the crystal structure and physical properties. As the Sr content increases, i.e., 𝑥 increases, we note a consistent reduction of 𝜇 eff and 𝑇 Curie . Long-range magnetic order in Eu 1−𝑥 ⁢Sr 𝑥 ⁢ AlSi persists up to 𝑥 = 0.95, whereas superconductivity is only observed for samples with 𝑥 > 0.97.

Walicka, Dorota I. [University of Geneva (Switzerl↗