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Results for “stability theory”

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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NASA NTRS1982

Surface tension and contact angles: Molecular origins and associated microstructure

Gradient theory converts the molecular theory of inhomogeneous fluid into nonlinear boundary value problems for density and stress distributions in fluid interfaces, contact line regions, nuclei and microdroplets, and other fluid microstructures. The relationship between the basic patterns of fluid phase behavior and the occurrence and stability of fluid microstructures was clearly established by the theory. All the inputs of the theory have molecular expressions which are computable from simple models. On another level, the theory becomes a phenomenological framework in which the equation of state of homogeneous fluid and sets of influence parameters of inhomogeneous fluids are the inputs and the structures, stress tensions and contact angles of menisci are the outputs. These outputs, which find applications in the science and technology of drops and bubbles, are discussed.

Davis, H. T.↗

NASA NTRS1977

Stability of the equilibrium for atomic H in solid H2

The previously reported phenomenological rate process theory for the storage of atomic hydrogen free radicals in a tritium-impregnated crystalline molecular hydrogen solid is used to determine the dynamical stability of the constant uniform equilibrium solution. The analysis indicates that the equilibrium is unstable (thus, unattainable experimentally) for storage temperatures in a certain range (specifically between 0.134 and 0.80 K for 0.03% tritium by weight, and between 0.165 and 0.80 K for 1.20% tritium by weight), while being absolutely stable with respect to arbitrary small-amplitude perturbations for all storage temperatures below and above this range. The theory also predicts the maximum size for a stable H/H2 sample with an appreciable concentration of trapped H and a net excess rate of volumetric heating due to the tritium decay.

Rosen, G.↗

DOE OSTI2020

On a variational formulation of the weakly nonlinear magnetic Rayleigh–Taylor instability

The magnetic-Rayleigh–Taylor (MRT) instability is a ubiquitous phenomenon that occurs in magnetically-driven Z-pinch implosions. It is important to understand this instability since it can decrease the performance of such implosions. In this work, I present a theoretical model for the weakly nonlinear MRT instability. I obtain such a model by asymptotically expanding an action principle, whose Lagrangian leads to the fully nonlinear MRT equations. After introducing a suitable choice of coordinates, I show that the theory can be cast as a Hamiltonian system, whose Hamiltonian is calculated up to the sixth order in a perturbation parameter. The resulting theory captures the harmonic generation of MRT modes. It is shown that the amplitude at which the linear magnetic-Rayleigh–Taylor instability exponential growth saturates depends on the stabilization effect of the magnetic-field tension. Overall, the theory provides an intuitive interpretation of the weakly nonlinear MRT instability and provides a systematic approach for studying this instability in more complex settings.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Atomic cooperation in enhancing magnetism: (Fe, Cu)-doped CeCo 5

Developing permanent magnet alloys with decreased critical elements (e.g., Nd, Dy, and Co) requires identifying compositions and structures with uniaxial magneto-crystalline anisotropy energy (MAE), large magnetization, and a high ferromagnetic transition temperature (Curie temperature - T C ). One approach to minimizing the critical elements in potential permanent magnet alloys is to use overly produced Ce, which is less critical. Furthermore, reducing Co content in RCo 5 (R = Rare Earth) alloys is necessary since Co is also a critical element. An obvious choice for decreasing Co content is a substitution with non-critical Fe. However, the Fe is not stable in the lattice due to the reduced number of d -electrons. Concomitant substitution of Cu stabilizes Fe substitution. Employing first-principles electronic structure theory, we identify the weakly localized nature of cobalt in CeCo 5 , which causes high uniaxial magnetic anisotropy of ~10 MJ/m 3 . In contrast, substituted Cu delocalizes the Co’s 3 d -states, resulting in lower anisotropy. Calculations show that 10% Cu can stabilize 20% Fe subsituted for Co, which significantly enhances magnetic moment in the Ce (Co, Fe, Cu) 5 . We report this prediction is in good agreement with a single-crystal experiment in which the optimal composition was identified to be 15% of Fe and 12% Cu. The competitive non-equivalent Co sites preferred by Cu and Fe, a unique electronic structure including exchange and crystal field splitting, and rigid band shift variation are borne by 3 d states of Co, Fe, and Cu around the Fermi level, all play an essential role in tuning the magnetic properties.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Dark Energy Survey Year 3 Results: Constraints on cosmological parameters and galaxy bias models from galaxy clustering and galaxy-galaxy lensing using the redMaGiC sample

We constrain cosmological parameters and galaxy-bias parameters using the combination of galaxy clustering and galaxy-galaxy lensing measurements from the Dark Energy Survey Year-3 data. We describe our modeling framework and choice of scales analyzed, validating their robustness to theoretical uncertainties in small-scale clustering by analyzing simulated data. Using a linear galaxy bias model and redMaGiC galaxy sample, we obtain constraints on the matter content of the universe to be $\Omega_{\rm m} = 0.325^{+0.033}_{-0.034}$. We also implement a non-linear galaxy bias model to probe smaller scales that includes parameterizations based on hybrid perturbation theory, and find that it leads to a 17% gain in cosmological constraining power. Using the redMaGiC galaxy sample as foreground lens galaxies, we find the galaxy clustering and galaxy-galaxy lensing measurements to exhibit significant signals akin to decorrelation between galaxies and mass on large scales, which is not expected in any current models. This likely systematic measurement error biases our constraints on galaxy bias and the $S_8$ parameter. We find that a scale-, redshift- and sky-area-independent phenomenological decorrelation parameter can effectively capture this inconsistency between the galaxy clustering and galaxy-galaxy lensing. We perform robustness tests of our methodology pipeline and demonstrate stability of the constraints to changes in the theory model. After accounting for this decorrelation, we infer the constraints on the mean host halo mass of the redMaGiC galaxies from the large-scale bias constraints, finding the galaxies occupy halos of mass approximately $1.5 \times 10^{13} M_{\odot}/h$.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1998

Fault-tolerant computation with higher-dimensional systems

Instead of a quantum computer where the fundamental units are 2-dimensional qubits, the author considers a quantum computer made up of d-dimensional systems. There is a straightforward generalization of the class of stabilizer codes to d-dimensional systems, and he discusses the theory of fault-tolerant computation using such codes. He proves that universal fault-tolerant computation is possible with any higher-dimensional stabilizer code for prime d.

CORRECTIONS↗

DOE OSTI2020

Computationally Predicted High-Throughput Free-Energy Phase Diagrams for the Discovery of Solid-State Hydrogen Storage Reactions

The design of multinary solid-state material systems that undergo reversible phase changes via changes in temperature and pressure provides a potential means of safely storing hydrogen. However, fully mapping the stabilities of known or newly targeted compounds relative to competing phases at reaction conditions has previously required many stringent experiments or computationally demanding calculations of each compound’s change in Gibbs energy with respect to temperature, G(T). Here, we have extended the approach of constructing chemical potential phase diagrams based on ΔG f (T) to enable the analysis of phase stability at non-zero temperatures. We first performed density functional theory calculations to compute the formation enthalpies of binary, ternary, and quaternary compounds within several compositional spaces of current interest for solid-state hydrogen storage. Temperature effects on solid compound stability were then accounted for using our recently introduced machine learned descriptor for the temperature-dependent contribution G δ (T) to the Gibbs energy G(T). From these Gibbs energies, we evaluated each compound’s stability relative to competing compounds over a wide range of conditions and show using chemical potential and composition phase diagrams that the predicted stable phases and H2 release reactions are consistent with experimental observations. This demonstrates that our approach rapidly computes the thermochemistry of hydrogen release reactions for compounds at sufficiently high accuracy relative to experiment to provide a powerful framework for analyzing hydrogen storage materials. This framework based on G(T) enables the accelerated discovery of active materials for a variety of technologies that rely on solid-state reactions involving these materials.

08 HYDROGEN↗

NASA NTRS1980

A report on the gravitational redshift test for non-metric theories of gravitation

The frequencies of two atomic hydrogen masers and of three superconducting cavity stabilized oscillators were compared as the ensemble of oscillators was moved in the Sun's gravitational field by the rotation and orbital motion of the Earth. Metric gravitation theories predict that the gravitational redshifts of the two types of oscillators are identical, and that there should be no relative frequency shift between the oscillators; nonmetric theories, in contrast, predict a frequency shift between masers and SCSOs that is proportional to the change in solar gravitational potential experienced by the oscillators. The results are consistent with metric theories of gravitation at a level of 2%.

Source record↗

NASA NTRS1996

CLMNANAL: A C++ program for application of the Coleman stability analysis to rotorcraft

This program is an adaptation of the theory of Robert P. Coleman and Arnold M. Feingold as presented in NACA Report 1351, 1958. This theory provided a method for the analysis of multiple-bladed rotor systems to determine the system susceptibility to ground resonance. Their treatment also provided a simple means for determining the required product of rotor and chassis damping factors to suppress the resonance. This C++ program is based on a FORTRAN 77 version of a similar code.

Lance, Michael B.↗

DOE OSTI2022

Hierarchical microstructures: a potential route to enhanced stability in structural materials for advanced nuclear reactors

The drive to increase efficiency in nuclear energy systems is leading to the need for materials that operate at higher temperatures and stress levels for extended periods, while maintaining stable microstructures to ensure their performance is not compromised. A novel route to producing materials that can perform well in such environments is the creation of hierarchical microstructures. A hierarchical microstructure is a microstructure in which features are present at multiple length scales simultaneously. In this work, a hierarchical microstructure is fabricated in a nickel-base superalloy, featuring nanometer-size gamma precipitates inside larger gamma-prime particles, which are in turn embedded in the gamma matrix phase. The hierarchical features of the microstructure lead to enhanced stability of the gamma-prime precipitates during annealing; the particle size does not follow the expected t^(1/3) growth law predicted by the classic LSW theory. Phase-field simulations are used to understand the unexpected stability of the gamma-prime precipitates.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Hierarchical microstructures: a potential route to enhanced stability in structural materials for advanced nuclear reactors

36 - MATERIALS SCIENCE↗

DOE OSTI2024

Scalable, ab initio protocol for quantum simulating SU($N$)×U(1) Lattice Gauge Theories

We propose a protocol for the scalable quantum simulation of SU(N)×U(1) lattice gauge theories with alkaline-earth like atoms in optical lattices in both one- and two-dimensional systems. The protocol exploits the combination of naturally occurring SU(N) pseudo-spin symmetry and strong inter-orbital interactions that is unique to such atomic species. A detailed ab initio study of the microscopic dynamics shows how gauge invariance emerges in an accessible parameter regime, and allows us to identify the main challenges in the simulation of such theories. We provide quantitative results about the requirements in terms of experimental stability in relation to observing gauge invariant dynamics, a key element for a deeper analysis on the functioning of such class of theories in both quantum simulators and computers.

Physics↗

DOE OSTI2023

Elevating zero dimensional global scaling predictions to self-consistent theory-based simulations

In this work, we have developed an innovative workflow, Stability, Transport, Equilibrium, and Pedestal (STEP)-zero-dimensional (0D), within the OMFIT integrated modeling framework. Through systematic validation against the International Tokamak Physics Activity global H-mode confinement database, we demonstrated that STEP-0D, on average, predicts the energy confinement time with a mean relative error of less than 19%. Moreover, this workflow showed promising potential in predicting plasmas for proposed fusion reactors such as the affordable, robust, compact (ARC) reactor, the European demonstration power plant (EU-DEMO), and the China fusion engineering test reactor (CFETR) indicating moderate H-factors between 0.9 and 1.2. STEP-0D allows theory-based prediction of tokamak scenarios, beginning with 0D quantities. The workflow initiates with the PRO-create module, generating physically consistent plasma profiles and equilibrium using the same 0D quantities as the IPB98(y,2) confinement scaling. This sets the starting point for the STEP module, which further iterates between theory-based physics models of equilibrium, core transport, and pedestal to yield a self-consistent solution. Given these attributes, STEP-0D not only improves the accuracy of predicting plasma performance but also provides a path toward a novel fusion power plant design workflow. When integrated with engineering and costing models within an optimization, this new approach could eliminate the iterative reconciliation between plasma models of varying fidelity. This potential for a more efficient design process underpins STEP-0D's significant contribution to future fusion power plant development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Screening binary alloys for electrochemical CO 2 reduction towards multi-carbon products

Electrochemical reduction of CO 2 (eCO 2 R) to high-value chemicals presents an attractive approach for utilizing CO 2 . Copper (Cu) is presently the only electrocatalyst that fulfills this purpose with notable activity, but selectivity remains a problem. To identify catalysts for eCO 2 R with high selectivity towards multicarbon (C 2(+) ) products, we explore binary systems composed of strongly and weakly CO binding metals alloyed with Cu, Fe, Co, Ni, and Pd. A total number of 142 alloys with two commonly studied configurations, L1 2 and L1 0 , are simulated with density functional theory (DFT). We leverage recent progress in the atomistic understanding of the eCO 2 R mechanism and use the binding energies of CO* and C* as descriptors when screening for C 2(+) selectivity. We evaluate the stability of the binary alloys by analyzing the formation energy of the clean alloy surfaces. Our theoretical screening identifies about 16 Cu-based alloys and 18 non-Cu based alloys with optimal C 2(+) selective properties for eCO 2 R. For the non-Cu based binary alloys, the p-block elements play an important role in tuning the C* and CO* adsorption energies. In terms of stability, most of the Cu-based systems alloyed with metals that exhibit strong CO* binding are unstable. Ni-based alloys are more stable than the Co-based alloys followed by the Fe-based alloys, and all the Pd-based alloys are stable. In general, the L1 0 structural Fe, Co, Ni, and Pd-based alloys are more stable than the corresponding L1 2 alloys. Our approach identifies materials known to have good C 2(+) selectivity, but it also proposes several other promising materials that have not previously been tested for eCO 2 R.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2005

Experimental Study of Large-Amplitude Faraday Waves in Rectangular Cylinders

Experiment on single-mode Faraday waves having two, thee, and four wavelengths across a rectangular cylinder of high aspect ratio is the subject of discussion. Previous experiments recently done by Henderson & Miles (1989) and by Lei Jiang et. a1 (1996) focused on Faraday waves with one and two wavelengths across rectangular cylinders. In this experimental study the waves steepness ranges from small at threshold levels to a large amplitude which according to Penny & Price theory (1952) approaches the maximum sustainable amplitude for a standing wave. The waves characteristics for small amplitudes are evaluated against an existing well known linear theory by Benjamin & Ursell (l954) and against a weakly nonlinear theory by J. Miles (1984) which includes the effect of viscous damping. The evaluation includes the wave neutral stability and damping rate. In addition, a wave amplitude differential equation of a linear theory including viscous effect by Cerda & Tirapegui (1998) is solved numerically to yield prediction of temporal profiles of both wave damping and wave formation at the threshold. An interesting finding from this exercise is that the fluid kinematic viscosity needs to increase ten times in order to obtain good agreement between the theoretical prediction and the experimental data for both wave damping and wave starting. For large amplitude waves, the experimental data are evaluated against the theory of Penny & Price which predicts wave characteristics of any amplitude up to the point at which the wave reaches its maximum amplitude attainable for a standing wave. The theory yields two criteria to show the maximum wave steepness, the vertical acceleration at the wave crest of half the earth gravity field acceleration and the including angle at the crest of 90 degrees. Comparison with experimental data shows close agreement for the wave crest acceleration but a large discrepancy for the including angle. Additional information is included in the original extended abstract.

Iek, Chanthy↗

DOE OSTI2020

Synergy of Ion Doping and Spiral Array Architecture on Ti 2 Nb 10 O 29 : A New Way to Achieve High-Power Electrodes

Ameliorating electronic/ionic transport and structural stability of electrode materials is important to the development of power-intensive lithium ion batteries. Despite its great potential as a high-power anode, titanium niobium oxide (Ti 2 Nb 10 O 29 , TNO) still underperforms due to its unsatisfactory electronic/ionic conductivity. In this work, a powerful synergistic strategy by combining ion doping and spiral array architecture to boost high-rate performance of TNO is reported. Cr 3+ doped TNO nanoparticles (Cr-TNO) of 5-10 nm intimately grow on a conductive vertical graphene@TiC-C (VGTC) skeleton, forming novel Cr-TNO@VGTC spiral arrays. The unique spiral growth of TNO is achieved due to the confinement effect of VGTC skeleton. Meanwhile, a more open TNO crystal structure with faster ion transfer paths and enhanced structural stability is realized by Cr 3+ doping, demonstrated via density functional theory calculation and in situ synchrotron X-ray diffraction technique. Benefiting from the superior conductive network, enhanced intrinsic electronic/ionic conductivity of Cr-TNO and reinforced structural stability, the Cr-TNO@VTC arrays show prominent high-power performance with a large capacity of 220 mAh g -1 at 40 C (power density of ≈11 kW kg -1 ) and superior durability (91% retention after 500 cycles). This work provides a new path for the construction of widespread high-power electrodes for fast energy storage.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Machine-learning enabled thermodynamic model for the design of new rare-earth compounds

We employ a descriptor based machine-learning approach to assess the effect of chemical alloying on formation-enthalpy of rare-earth intermetallics. Application of machine-learning approaches in rare-earth intermetallic design have been sparse due to limited availability of reliable datasets. In this work, we developed an ‘in-house’ rare-earth database with more than 600 + compounds, each entry was populated with formation enthalpy and related atomic features using high-throughput density-functional theory (DFT). The SISSO (sure independence screening and sparsifying operator) based machine-learning method with meaningful atomic features was used for training and testing the formation enthalpies of rare earth compounds. The complex lattice function coupled with the machine-learning model was used to explore the effect of transition metal alloying on the energy stability of Ce based cubic Laves phases (MgCu 2 type). The SISSO predictions show good agreement with high-fidelity DFT calculations and X-ray powder diffraction measurements. Our study provides quantitative guidance for compositional considerations within a machine-learning model and discovering new metastable materials. The electronic-structure of Ce-Fe-Cu based compound was also analyzed to get an in-depth understanding of the electronic origin of phase stability. The interpretable analytical models in combination with density-functional theory and experiments provide a fast and reliable design guide for discovering technologically useful materials.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Clifford Hierarchy Stabilizer Codes: Transversal Non-Clifford Gates and Magic States

A fundamental problem in fault-tolerant quantum computation is the tradeoff between universality and dimensionality, exemplified by the the Bravyi-König bound for $n$-dimensional topological stabilizer codes. In this work, we extend topological Pauli stabilizer codes to a broad class of $n$-dimensional Clifford hierarchy stabilizer codes. These codes correspond to the $(n+1)$D Dijkgraaf-Witten gauge theories with non-Abelian topological order. We construct transversal non-Clifford gates through automorphism symmetries represented by cup products. In 2D, we obtain the first transversal non-Clifford logical gates including T and CS for Clifford stabilizer codes, using the automorphism of the twisted $\mathbb{Z}_2^3$ gauge theory (equivalent to $\mathbb{D}_4$ topological order). We also combine it with the just-in-time decoder to fault-tolerantly prepare the logical T magic state in $O(d)$ rounds via code switching. In 3D, we construct a transversal logical $\sqrt{\text{T}}$ gate in a non-Clifford stabilizer code at the third level of the Clifford hierarchy, located on a tetrahedron corresponding to a twisted $\mathbb{Z}_2^4$ gauge theory. Furthermore, our constructions surpass the Bravyi-König bound by achieving the logical gates in the $(n+1)$-th level of Clifford hierarchy in $n$ spatial dimension.

Kobayashi, Ryohei [Institute for Advanced Study, P↗