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At least 451 records · Page 25

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NASA NTRS1993

Elastic-plastic finite element analyses of an unidirectional, 9 vol percent tungsten fiber reinforced copper matrix composite

Micromechanical modeling via elastic-plastic finite element analyses were performed to investigate the effects that the residual stresses and the degree of matrix work hardening (i.e., cold-worked, annealed) have upon the behavior of a 9 vol percent, unidirectional W/Cu composite, undergoing tensile loading. The inclusion of the residual stress-containing state as well as the simulated matrix material conditions proved to be significant since the Cu matrix material exhibited plastic deformation, which affected the subsequent tensile response of the composite system. The stresses generated during cooldown to room temperature from the manufacturing temperature were more of a factor on the annealed-matrix composite, since they induced the softened matrix to plastically flow. This event limited the total load-carrying capacity of this matrix-dominated, ductile-ductile type material system. Plastic deformation of the hardened-matrix composite during the thermal cooldown stage was not considerable, therefore, the composite was able to sustain a higher stress before showing any appreciable matrix plasticity. The predicted room temperature, stress-strain response, and deformation stages under both material conditions represented upper and lower bounds characteristic of the composite's tensile behavior. The initial deformation stage for the hardened material condition showed negligible matrix plastic deformation while for the annealed state, its initial deformation stage showed extensive matrix plasticity. Both material conditions exhibited a final deformation stage where the fiber and matrix were straining plastically. The predicted stress-strain results were compared to the experimental, room temperature, tensile stress-strain curve generated from this particular composite system. The analyses indicated that the actual thermal-mechanical state of the composite's Cu matrix, represented by the experimental data, followed the annealed material condition.

Sanfeliz, Jose G.↗

DOE OSTI2026

Dispersive and nondispersive 𝐾-matrix formalisms

The modeling of coupled-channel effects has become increasingly important due to the availability of highly precise data for a large variety of hadronic (re)scattering processes. The 𝐾-matrix is a powerful, yet comparatively simple, method to describe scattering amplitudes, including coupled-channel effects, with the aim of interpreting experimental data. Throughout the literature, a range of dispersive and nondispersive 𝐾-matrix methods are employed. Here, we compare the dispersive and nondispersive formulations in the context of the N/D method. It is shown that the methods are equivalent in the physical region under 𝐾-matrix reparametrization. Differences away from the physical region are examined. Applications to synthetic data are used to illustrate the effects of model choices concerning form factors and the application of dispersion relations, with the goal of clarifying best practices. We find no clear preference with regard to dispersive modeling. In contrast, we find that interpretational ambiguity of the bare model parameters—and even of the form of the bare model—is endemic, and recommend a thorough sampling of data and model spaces to assess conclusion robustness.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Disordered hydrogen adsorption at the three-fold site of W(110)

Hydrogen often forms disordered phases on metals; however, deciphering the atomic-scale behavior requires experimental and modeling techniques that directly probe the short-range order between neighboring hydrogen adsorbates. Here, to address this challenge, we applied direct recoil spectroscopy (DRS) to investigate hydrogen adsorption on the W(110) surface. We show that the recoiled hydrogen flux measured during DRS is sensitive to the short range order of the adsorbed hydrogen. Ordered hydrogen neighbors are much more efficient at dechanneling incident ions along low-index surface channels, strongly suppressing the recoiled hydrogen flux along these directions. By modeling the DRS measurements with molecular dynamics for ordered and disordered hydrogen phases, we find that at a hydrogen surface coverage of approximately Θ = 0.6, the hydrogen adsorbates are bound to three-fold sites in a disordered phase at room temperature. This finding is consistent with transfer-matrix scaling model calculations that suggest the transition to an ordered hydrogen phase occurs at a greater surface coverage of Θ = 0.83.

08 HYDROGEN↗

NASA NTRS1990

Evaluation of several micromechanics models for discontinuously reinforced metal matrix composites

A systematic experimental evaluation of whisker and particulate reinforced aluminum matrix composites was conducted to assess the variation in tensile properties with reinforcement type, volume fraction, and specimen thickness. Each material was evaluated in three thicknesses, 1.8, 3.18, and 6.35 mm, to determine the size, distribution, and orientation of the reinforcements. This information was used to evaluate several micromechanical models that predict composite moduli. The longitudinal and transverse moduli were predicted for reinforced aluminum. The Paul model, the Cox model and the Halpin-Tsai model were evaluated. The Paul model gave a good upper bound prediction for the particulate reinforced composites but under predicted whisker reinforced composite moduli. The Cox model gave good moduli predictions for the whisker reinforcement, but was too low for the particulate. The Halpin-Tsai model gave good results for both whisker and particulate reinforced composites. An approach using a trigonometric projection of whisker length to predict the fiber contribution to the modulus in the longitudinal and transverse directions was compared to the more conventional lamination theory approach.

Johnson, W. Steven↗

NASA NTRS1991

Comparison of some micromechanics models for discontinuously reinforced metal matrix composites

Johnson, W. S.↗

DOE OSTI2017

Texture zeros in neutrino mass matrix

The Standard Model does not explain the hierarchy problem. Before the discovery of nonzero lepton mixing angle θ{sub 13} high hopes in explanation of the shape of the lepton mixing matrix were combined with non-Abelian symmetries. Nowadays, assuming one Higgs doublet, it is unlikely that this is still valid. Texture zeroes, that are combined with abelian symmetries, are intensively studied. The neutrino mass matrix is a natural way to study such symmetries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Modeling graphene sheet growth and dynamical matrix calculations using molecular dynamics

Molecular dynamics (MD) has been an incredibly useful tool to model physical processes that were synthesized experimentally but not fully understood. MD, through the use of semi-empirical inter-atomic potentials, has allowed understanding of different physical processes in materials science. Yet as well as providing useful insights into materials science, molecular dynamics has a wider range of usability. In this report, I will be detailing how MD can be used to study graphene formation from a carbon liquid which requires high temperatures and pressures. Beyond this, I will describe the usefulness of MD for understanding the physics for phonon transport quantum sensors. To do this, MD was employed to determine the dynamical matrix by treating atoms as coupled oscillators. An accurate understanding of the dynamical matrix of a system is required to calculate the non-equilibrium Green’s function used to describe the phonon transport within phonon wave-guides. I found that, across multiple pressures and temperatures, randomly placed carbon atoms will show evidence of pent-first formation with semi-empirical models. Density functional theory (DFT), on the other hand, was too computationally expensive to use for full scale MD simulations, but we have the possibility of training a machine learned interatomic potential to approximate DFT for carbon in the environments being studied for pent-first graphene sheet formation.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Fast and accurate calculation of EXAFS Debye-Waller factors in U⁢O2 using the dynamical matrix method

Theoretical modeling of bonding dynamics in metal oxides is required for predicting their thermal conductivity, catalytic activity, and mechanical properties. A primary challenge is the scarcity of experimental methods for validating theoretical predictions of these atomic-scale dynamics. This work presents a workflow that uses experimental extended x-ray absorption fine structure (EXAFS) data collected at high temperatures to validate an interatomic force field for uranium dioxide (UO2), an important model material. The validated force field is then used to drive computationally intensive molecular dynamics (MD) simulations and as input for the much faster dynamical matrix Debye-Waller (DMDW) method. The predicted values of the Debye-Waller factors from the DMDW calculations are in good agreement with those obtained from the MD simulations, with residual pair-specific differences attributable to quantum zero-point motion at low temperatures and lattice anharmonicity at high temperatures. We further show that theoretical EXAFS spectra constructed directly from DMDW-derived Debye-Waller factors reproduce the experimental data (at relatively low temperatures) with accuracy comparable to full MD-EXAFS, providing an additional validation of the choice of the potential. This study establishes a validated, rapid computational pathway for modeling bond dynamics, naturally incorporating quantum nuclear\\\\r\\\\nstatistics absent in classical simulations, which are essential for the mechanistic understanding of complex oxide materials.

58 GEOSCIENCES↗

DOE OSTI2016

Disordered quivers and cold horizons

We analyze the low temperature structure of a supersymmetric quiver quantum mechanics with randomized superpotential coefficients, treating them as quenched disorder. These theories describe features of the low energy dynamics of wrapped branes, which in large number backreact into extremal black holes. We show that the low temperature theory, in the limit of a large number of bifundamentals, exhibits a time reparametrization symmetry as well as a specific heat linear in the temperature. Both these features resemble the behavior of black hole horizons in the zero temperature limit. We demonstrate similarities between the low temperature physics of the random quiver model and a theory of large N free fermions with random masses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Nonlinear sigma models with compact hyperbolic target spaces

We explore the phase structure of nonlinear sigma models with target spaces corresponding to compact quotients of hyperbolic space, focusing on the case of a hyperbolic genus-2 Riemann surface. The continuum theory of these models can be approximated by a lattice spin system which we simulate using Monte Carlo methods. The target space possesses interesting geometric and topological properties which are reflected in novel features of the sigma model. In particular, we observe a topological phase transition at a critical temperature, above which vortices proliferate, reminiscent of the Kosterlitz-Thouless phase transition in the O(2) model [1, 2]. Unlike in the O(2) case, there are many different types of vortices, suggesting a possible analogy to the Hagedorn treatment of statistical mechanics of a proliferating number of hadron species. Below the critical temperature the spins cluster around six special points in the target space known as Weierstrass points. In conclusion, the diversity of compact hyperbolic manifolds suggests that our model is only the simplest example of a broad class of statistical mechanical models whose main features can be understood essentially in geometric terms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Linear growth of circuit complexity from Brownian dynamics

How rapidly can a many-body quantum system generate randomness? Using path integral methods, we demonstrate that Brownian quantum systems have circuit complexity that grows linearly with time. In particular, we study Brownian clusters of N spins or fermions with time-dependent all-to-all interactions, and calculate the Frame Potential to characterize complexity growth in these models. In both cases the problem can be mapped to an effective statistical mechanics problem which we study using path integral methods. Within this framework it is straightforward to show that the kth Frame Potential comes within ϵ of the Haar value after a time of order t ~ kN + k log k + log ϵ –1 . Using a bound on the diamond norm, this implies that such circuits are capable of coming very close to a unitary k-design after a time of order t ~ kN. We also consider the same question for systems with a time-independent Hamiltonian and argue that a small amount of time-dependent randomness is sufficient to generate a k-design in linear time provided the underlying Hamiltonian is quantum chaotic. These models provide explicit examples of linear complexity growth that are analytically tractable and are directly applicable to practical applications calling for unitary k-designs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Chemical effects of carbon dioxide sequestration in the Upper Morrow Sandstone in the Farnsworth, Texas, hydrocarbon unit

Numerical geochemical modeling was used to study the effects on pore-water composition and mineralogy from carbon dioxide (CO2) injection into the Pennsylvanian Morrow B Sandstone in the Farnsworth Unit in northern Texas to evaluate its potential for long-term CO2 sequestration. Speciation modeling showed the present Morrow B formation water to be supersaturated with respect to an assemblage of zeolite, clay, carbonate, mica, and aluminum hydroxide minerals and quartz. The principal accessory minerals in the Morrow B, feldspars and chlorite, were predicted to dissolve. A reaction-path model in which CO2 was progressively added up to its solubility limit into the Morrow B formation water showed a decrease in pH from its initial value of 7 to approximately 4.1 to 4.2, accompanied by the precipitation of small amounts of quartz, diaspore, and witherite. As the resultant CO2-charged fluid reacted with more of the Morrow B mineral matrix, the model predicted a rise in pH, reaching a maximum of 5.1 to 5.2 at a water–rock ratio of 10:1. At a higher water–rock ratio of 100:1, the pH rose to only 4.6 to 4.7. Diaspore, quartz, and nontronite precipitated consistently regardless of the water–rock ratio, but the carbonate minerals siderite, witherite, dolomite, and calcite precipitated at higher pH values only. As a result, CO2 sequestration by mineral trapping was predicted to be important only at low water–rock ratios, accounting for a maximum of 2% of the added CO2 at the lowest water–rock ratio investigated of 10:1, which corresponds to a small porosity increase of approximately 0.14% to 0.15%.

Ahmmed, Bulbul↗

NASA NTRS1988

A cumulative damage model for continuous fiber composite laminates with matrix cracking and interply delaminations

The present cumulative damage model for the prediction of stiffness loss in graphite/epoxy laminates applies a thermomechanical constitutive theory for elastic composites with distributed damage. The model proceeds from a continuum mechanics and thermodynamics approach in which the distributed damage is characterized by a set of second-order tensor-valued internal state variables. A set of damage-dependent laminated plate equations is obtained; this is developed by modifying classical Kirchhoff plate theory.

Allen, David H.↗

DOE OSTI2025

A Noniterative Method of Estimating Parameter Values for the PVsyst Version 6 Single-Diode Model From IEC 61853-1 Matrix Measurements

Not Available

42 ENGINEERING↗

DOE OSTI2025

Failure of the large-N expansion in a bosonic tensor model

We study the tensor model generalization of the quantum p-spherical model in the large-N limit. While the tensor model has the same large-N expansion as the disordered quantum p-spherical model, its ground state is superextensive, in contradiction with large-N perturbation theory. Therefore, the large-N expansion of this model catastrophically fails at arbitrarily large-N, without any obvious signal in perturbation theory.

1/N Expansion↗

DOE OSTI2024

Complex eigenvalue instantons and the Fredholm determinant expansion in the Gross-Witten-Wadia model

We study the leading nonperturbative corrections to the strong-coupling (ungapped) phase of the Gross-Witten-Wadia (GWW) integral over unitary matrices, to one-loop order. We compute these corrections directly in terms of eigenvalue tunneling in a holomorphic presentation of the integral over eigenvalues. The leading nonperturbative contribution to the partition function comes from a pair of complex eigenvalue instantons. We show that these are in fact “ghost instantons”, which are extrema of the one-eigenvalue effective potential on the “unphysical sheet” of the spectral curve and have been discussed in detail recently by Mariño, Schiappa, and Schwick. Further, we discuss the relationship of these instantons to the Fredholm determinant expansion of the unitary matrix integral, which has recently become an object of interest in the computations of BPS indices of supersymmetric gauge theories and black holes. We find that, after taking the ’t Hooft limit, the first correction given by the Fredholm determinant expansion of the GWW integral agrees precisely with the leading nonperturbative correction, to one-loop order.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Open-closed 3d gravity as a random ensemble

We investigate an ensemble of boundary CFTs within the framework of a tensor model recently constructed to model 3d quantum gravity. The incorporation of CFT borders introduces new elements to the gravity theory. In particular, it leads to an open-closed extension of Virasoro TQFT, which in the classical limit gives rise to 3d gravity with tensionful end-of-the-world branes. It also provides predictions for off-shell manifolds with bordered asymptotic boundaries, such as the annulus wormhole. As an application, we construct a purely open variant of the tensor model to study a purely open bootstrap problem in the context of CFT triangulation. We also briefly discuss the extension to non-orientable CFTs.

AdS-CFT correspondence↗

NASA NTRS1992

A macro-micromechanics analysis of a notched metal matrix composite

Macro- and micromechanics analysis were conducted to determine the matrix and fiber behaviors near the notch in a center-notched metal-matrix composite. In this approach, the macrolevel analysis models the entire notched specimen using a 3D finite element program that uses the vanishing-fiber-diameter model to simulate the elastic-plastic behavior of the matrix and the elastic behavior of the fiber. The microlevel behavior is analyzed using a discrete fiber-matrix model containing one fiber and the surrounding matrix. The viability of this analysis is demonstrated using results for a boron/aluminum monolayer.

Bigelow, Catherine A.↗