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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 613 records · Page 34

Dynamics and statics of nonaxisymmetric liquid bridges

We finished the construction of the experimental apparatus and the design and testing of some of the visualization and data acquisition techniques. Experimental work focused on three areas: force measurements, loss of stability to nonaxisymmetric bridges, and vibration behavior. The experimental work is summarized in section 2. Selected results from our force measurement experiments are outlined in section 3. In addition we worked on the theory of the dynamic stability of axisymmetric bridges and undertook numerical simulation of the effects of inclined gravity vectors on the minimum volume stability limit for static bridges. The results and status of our theoretical work and numerical simulation are described in section 4. Papers published and in preparation, conference presentations, etc., are described in section 5. Work planned for the third year is discussed in section 6. References cited in the report are listed in section 7.

Alexander, J. Iwan D.↗

A combined machine learning and density functional theory study of binary Ti-Nb and Ti-Zr alloys: Stability and Young’s modulus

The multicomponent Ti alloys, specifically the -phase, have experienced a strong growth over the last decades, due to their outstanding properties of ultra-high strength and low Young’s modulus. These properties play a significant role in many aerospace and biomedical applications. Selection and optimization of multicomponent alloys is challenging due to the vast chemical and compositional space. Here we investigate the use of machine learning techniques informed by density functional calculations to guide the selection of Nb- and Zr-based Ti binary alloys. From the cubic structures obtained from high throughput calculations and literature, we identify several structures with Young’s moduli below 40 GPa. The multivariant decision tree methods provide efficient surrogate models to identify structure variables have high influences on the energetic stability and Young’s modulus. Furthermore, we implement a workflow of incorporating DFT provided results and machine learning method to explore the chemical and composition space of other binary and multicomponent alloys, to eventually accelerate the material design via taking advantages of identified key variables.

36 MATERIALS SCIENCE↗

Predicting metal–metal interactions. II. Accelerating generalized schemes through physical insights

Operando-computational frameworks that integrate descriptors for catalyst stability within catalyst screening paradigms enable predictions of rates and selectivity on chemically faithful representations of nanoparticles under reaction conditions. These catalyst stability descriptors can be efficiently predicted by density functional theory (DFT)-based models. The alloy stability model, for example, predicts the stability of metal atoms in nanoparticles with site-by-site resolution. In this work, we use physical insights to present accelerated approaches of parameterizing this recently introduced alloy-stability model. These accelerated approaches meld quadratic functions for the energy of metal atoms in terms of the coordination number with linear correlations between model parameters and the cohesive energies of bulk metals. By interpolating across both the coordination number and chemical space, these accelerated approaches shrink the training set size for 12 fcc p- and d-block metals from 204 to as few as 24 DFT calculated total energies without sacrificing the accuracy of our model. We validate the accelerated approaches by predicting adsorption energies of metal atoms on extended surfaces and 147 atom cuboctahedral nanoparticles with mean absolute errors of 0.10 eV and 0.24 eV, respectively. This efficiency boost will enable a rapid and exhaustive exploration of the vast material space of transition metal alloys for catalytic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solar nebula dispersal and the stability of the planetary system. I - Scanning secular resonance theory

Secular resonances in the early solar system are investigated with the aim of establishing constraints on the time scale and method of solar nebula dispersal. Simplified nebula models and dispersal routines are used to approximate changes in an assumed axisymmetric nebula potential. These changes drive an evolutionary sequence of Laplace-Lagrange solutions for the secular variations of the solar system. These sequences are characterized by a sweep of one or more giant planet resonances through the inner solar system. Their effect is rate-dependent; characteristic dispersal times of not greater than 10,000 to 100,000 years are required to avoid the generation of terrestrial eccentricities and inclinations in excess of observed values.

Ward, W. R.↗

Stability of a dual-spin spacecraft with spherical dampers

The present investigation is concerned with the stability characteristics of a specific dual-spin satellite configuration marked by a high degree of symmetry. The configuration includes a platform and a rotor. Both components contain arbitrarily located internal spherical dampers. The symmetry of the system configuration makes it possible to illustrate clearly the relationship between Routhian analysis, energy sink analysis, and digital simulation of the full nonlinear equations. Although the dual-spin spacecraft configuration contains energy dissipating devices on both platform and rotor, it is still possible to employ the rigorous, but relatively simple, Routh stability method. This method, unlike Floquet theory, has the potential of producing closed-form stability criteria. The energy sink method is capable of providing a closed-form stability criterion. Numerical simulation is a necessary requirement in the latter stages of design when the realistic perturbation environment must be considered.

Laskin, R. A.↗

Stochastic Modeling of Laminar-Turbulent Transition

Stochastic versions of stability equations are developed in order to develop integrated models of transition and turbulence and to understand the effects of uncertain initial conditions on disturbance growth. Stochastic forms of the resonant triad equations, a high Reynolds number asymptotic theory, and the parabolized stability equations are developed.

Rubinstein, Robert↗

Increased Defect Resistance and Ordering in MnBi 2 (Se 1– x Te x ) 4 via Accurate Diffusion Monte Carlo

Stabilizing materials and controlling defect formation remain key challenges in materials science, particularly for theory, where small energy differences must be resolved for accurate predictions. Here, we applied state-of-the-art theoretical methods to topological materials, focusing on MnBi 2 Te 4 (MBT), which is a promising intrinsic magnetic topological insulator. Antisite defects in MBT alter its electronic structure and magnetism, degrading topological properties and causing experimental inconsistencies. Using diffusion Monte Carlo and density functional theory, we investigated the thermodynamic stability and defect formation in MBT, MnBi 2 Se 4 (MBS), and MnBi 2 (Se 1–x Te x ) 4 . We found that MnBi 2 Se 2 Te 2 can be stable at finite temperatures, with higher defect formation energies due to stronger Mn–Se bonding and reduced internal strain. Se preferentially substitutes Te near Mn instead of Te in the outer layer, encouraging long-range ordering when incorporated. For MnBi 2 (Se 1–x Te x ) 4 , cluster expansion phase diagrams revealed solid solution behavior when x <0.5 and phase separation for larger x. MBT and MBS are topological insulators; therefore, the MnBi 2 (Se 1–x Te x ) 4 family could offer tunable topological behavior and improved stability.

MnBi2Te4↗

Eigenmode analysis of the sheared-flow Z-pinch

Experiments have demonstrated that a Z-pinch can persist for thousands of times longer than the growth time of global magnetohydrodynamic (MHD) instabilities such as the m=0 sausage and m=1 kink modes. These modes have growth times on the order of ta=a/vi, where vi is the ion thermal speed and a is the pinch radius. Axial flows with duz/dr ≲ vi/a have been measured during the stable period, and the commonly accepted theory is that this amount of shear is sufficient to stabilize these modes as predicted by numerical studies using the ideal MHD equations. However, these studies only consider specific equilibrium profiles that typically have a modest magnitude for the logarithmic pressure gradient, qP≡d ln P/d ln r, and may not represent experimental conditions. Linear stability of the sheared-flow Z-pinch is studied here via a direct eigen-decomposition of the matrix operator obtained from the linear ideal MHD equations. Several equilibrium profiles with a large variation of qP are examined. Considering a practical range of k, 1/3 ≲ ka ≲ 10, it is shown that the shear required to stabilize m=0 modes can be expressed as duz/dr≥Cγ0/(ka)α. Here, γ0=γ0(ka) is the profile-specific growth rate in the absence of shear, which scales approximately with |qP|. Both C and α are profile-specific constants, but C is order unity and α≈1. It is further demonstrated that even a large value of shear, duz/dr=3vi/a, is not sufficient to provide linear stabilization of the m=1 kink mode for all profiles considered. This result is in contrast to the currently accepted theory predicting stabilization at much lower shear, duz/dr=0.1vi/a, and suggests that the experimentally observed stability cannot be explained within the linear ideal-MHD model.

Angus, J. R. (ORCID:0000000314740002)↗

Applications of potential theory computations to transonic aeroelasticity

Unsteady aerodynamic and aeroelastic stability calculations based upon transonic small disturbance (TSD) potential theory are presented. Results from the two-dimensional XTRAN2L code and the three-dimensional XTRAN3S code are compared with experiment to demonstrate the ability of TSD codes to treat transonic effects. The necessity of nonisentropic corrections to transonic potential theory is demonstrated. Dynamic computational effects resulting from the choice of grid and boundary conditions are illustrated. Unsteady airloads for a number of parameter variations including airfoil shape and thickness, Mach number, frequency, and amplitude are given. Finally, samples of transonic aeroelastic calculations are given. A key observation is the extent to which unsteady transonic airloads calculated by inviscid potential theory may be treated in a locally linear manner.

Edwards, J. W.↗

Computer program system for dynamic simulation and stability analysis of passive and actively controlled spacecraft. Volume 1. Theory

A theoretical development and associated digital computer program system is presented. The dynamic system (spacecraft) is modeled as an assembly of rigid and/or flexible bodies not necessarily in a topological tree configuration. The computer program system may be used to investigate total system dynamic characteristics including interaction effects between rigid and/or flexible bodies, control systems, and a wide range of environmental loadings. Additionally, the program system may be used for design of attitude control systems and for evaluation of total dynamic system performance including time domain response and frequency domain stability analyses. Volume 1 presents the theoretical developments including a description of the physical system, the equations of dynamic equilibrium, discussion of kinematics and system topology, a complete treatment of momentum wheel coupling, and a discussion of gravity gradient and environmental effects. Volume 2, is a program users' guide and includes a description of the overall digital program code, individual subroutines and a description of required program input and generated program output. Volume 3 presents the results of selected demonstration problems that illustrate all program system capabilities.

Bodley, C. S.↗

Stability derivatives for bodies of revolution at subsonic speeds

The paper considers a rigid pointed body of revolution in a steady uniform subsonic flow. The body performs harmonic small-amplitude pitching oscillations around its zero angle of attack position. The body is assumed to be smooth and sufficiently slender so that the small perturbation concept can be applied. The basis of the method used, following Revell (1960), is the relation of a body-fixed perturbation potential to the general velocity potential. Normal force distributions as well as total force and moment coefficients are calculated for parabolic spindles and the numerical results show good agreement between Revell's second-order slender body theory and the present theory for the static stability derivatives of the parabolic spindles.

Liu, D. D.↗

The application of satellite data to study the effects of latent heat release on cyclones

Generalized energetics were studied for nonlinear inviscid symmetric instability (SI). It was found that the linear theory fails to predict the stability in certain cases where the basic state is transitional between stability and instability. The initial growth of the SI perturbations can be fairly well approximated by linear theory, but the long time nonlinear evaluations will be bonded energetically if the SI region is finite. However, a further extension of the energetics to conditional symmetric instability (CSI) shows that the nonlinear evolution of circulation will energetically depend much more on the precipitation in a complicated way. By treating the latent heat as a source which is implicitly related to the motion field, the existence, uniqueness and stability of steady viscous (CSI) circulations are studied. Viscous CSI circulations are proved to be unique and asymptotically stable when the heat sources are weak and less sensitive to the motion perturbations. By considering the fact that moist updrafts are narrow and using eddy viscosity of 0(1,000 m squared/s) the stability criterion suggests that some frontal rainbands were probably dominated by the CSI mechanism even in their mature quasi-steady stage.

Clark, J. H. E.↗

Stability and synthesis across barium tin sulfide material space

The underexplored Ba–Sn–S phase space is explored at various temperatures and cation ratios with combinatorial sputtering, crystallizing rocksalt-derived phases, Ba 2 SnS 4 , and Ba 7 Sn 5 S 15 . These findings are supported by DFT computed phase diagrams.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evolution of coupled weakly driven waves in a dissipative plasma

The nonlinear collisional dynamics of coupled driven plasma waves in the presence of background dissipation is studied analytically within kinetic theory. Sufficiently near marginal stability, phase space correlations are poorly preserved and time delays become unimportant. The system is then shown to be governed by two first-order coupled autonomous differential equations of cubic order for the wave amplitudes and two complementary first-order equations for the evolution of their phases. That system of equations can be decoupled and further simplified to a single second-order differential equation of Liénard's type for each amplitude. Numerical solutions for this equation are obtained in the general case, while analytic solutions are obtained for special cases in terms of parameters related to the spacing of the resonances of the two waves in frequency space, e.g., wave lengths and oscillation frequencies. These parameters are further analyzed to find classes of quasi-steady saturation and pulsating scenarios. To classify equilibrium points, local stability analysis is applied, and bifurcation conditions are determined. When the two waves saturate at similar amplitude levels, their combined signal is shown to invariably exhibit amplitude beating and phase jumps of nearly π. In conclusion, the obtained analytical results can be used to benchmark simulations and to interpret eigenmode amplitude measurements in fusion experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Stability Analysis of Parameter Varying Genetic Toggle Switches Using Koopman Operators

The genetic toggle switch is a well known model in synthetic biology that represents the dynamic interactions between two genes that repress each other. The mathematical models for the genetic toggle switch that currently exist have been useful in describing circuit dynamics in rapidly dividing cells, assuming fixed or time-invariant kinetic rates. There is a growing interest in being able to model and extend synthetic biological function for growth conditions such as stationary phase or during nutrient starvation. As cells transition from one growth phase to another, kinetic rates become time-varying parameters. In this paper, we propose a novel class of parameter varying nonlinear models that can be used to describe the dynamics of genetic circuits, including the toggle switch, as they transition from different phases of growth. We show that there exists unique solutions for this class of systems, as well as for a class of systems that incorporates the microbial phenomena of quorum sensing. Further, we show that the domain of these systems, which is the positive orthant, is positively invariant. We also showcase a theoretical control strategy for these systems that would grant asymptotic monostability of a desired fixed point. We then take the general form of these systems and analyze their stability properties through the framework of time-varying Koopman operator theory. A necessary condition for asymptotic stability is also provided as well as a sufficient condition for instability. A Koopman control strategy for the system is also proposed, as well as an analogous discrete time-varying Koopman framework for applications with regularly sampled measurements.

Harrison, Jamiree (ORCID:0000000265351579)↗

Adaptive control: Stability, convergence, and robustness

The deterministic theory of adaptive control (AC) is presented in an introduction for graduate students and practicing engineers. Chapters are devoted to basic AC approaches, notation and fundamental theorems, the identification problem, model-reference AC, parameter convergence using averaging techniques, and AC robustness. Consideration is given to the use of prior information, the global stability of indirect AC schemes, multivariable AC, linearizing AC for a class of nonlinear systems, AC of linearizable minimum-phase systems, and MIMO systems decouplable by static state feedback.

Sastry, Shankar↗

A materials-informatics based study of solid electrolytes and protective coatings for Li batteries

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes and protective coatings simultaneously possessing high ionic conductivity and wide electrochemical stability has proven to be a challenge. Here, we present a data-driven approach to explore the Li compound space for promising solid electrolytes and coatings. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds by computing Li+ migration barriers using bond-valence-based pair potentials, and stability windows using density functional theory energies. Using this database, we implement machine learning models that can accurately predict migration barriers and electrochemical stability windows for any new Li compound. Through feature engineering, we ensure that our models are both accurate and interpretable. We perform feature importance analysis on our models to highlight materials properties that can be tuned for future design of coatings/electrolytes. Our database and informatics approach provide a valuable tool for the rapid discovery of new solid-state battery chemistries.

Solid state batteries↗