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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Collective excitations and quantum incompressibility in electron-hole bilayers

In this study, we apply quantum continuum mechanics to the calculation of the excitation spectrum of a coupled electron-hole bilayer. The theory expresses excitation energies in terms of ground-state intra- and interlayer pair correlation functions, which are available from quantum Monte Carlo calculations. The final formulas for the collective modes deduced from this approach coincide with the formulas obtained in the “quasilocalized particle approximation” by Kalman et al. [G. Kalman, V. Valtchinov, and K. I. Golden, Phys. Rev. Lett. 82 , 3124 (1999) ], and likewise the theory predicts the existence of gapped excitations in the charged channel, with the gap arising from electron-hole correlation. An immediate consequence of the gap is that the static density-density response function of the charged channel vanishes as q 2 for wave vector q → 0 , rather than linearly in q , as commonly expected. In this sense, the system is incompressible . This feature, which has no analog in the classical electron-hole plasma, is consistent with the existence of an excitonic ground state and implies the existence of a discontinuity in the chemical potential of electrons and holes when the numbers of electrons and holes are equal. It should be experimentally observable by monitoring the densities of electrons and holes in response to potentials that attempt to change these densities in opposite directions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Gauge-symmetrization method for energy-momentum tensors in high-order electromagnetic field theories

For electromagnetic field theories, canonical energy-momentum conservation laws can be derived from the underpinning spacetime translation symmetry according to the Noether procedure. However, the canonical energy-momentum tensors (EMTs) are neither symmetric nor gauge-symmetric (gauge invariant). The Belinfante-Rosenfeld (BR) method is a well-known procedure to symmetrize the EMTs, which also renders them gauge symmetric for first-order field theories. High-order electromagnetic field theories appear in the study of gyrokinetic systems for magnetized plasmas and the Podolsky system for the radiation reaction of classical charged particles. For these high-order field theories, gauge-symmetric EMTs are not necessarily symmetric and vice versa. In the present study, we develop a new gauge-symmetrization method for EMTs in high-order electromagnetic field theories. The Noether procedure is carried out using the Faraday tensor $F_{μν}$, instead of the 4-potential $A_{μ}$, to derive a canonical EMT $T^{μν}_{N}$. We show that the gauge-dependent part of $T^{μν}_{N}$ can be removed using the displacement-potential tensor $F^{σμν}$ ≡ $D^{σμ}A^{ν}/4π$, where $D^{σμ}$ is the antisymmetric electric displacement tensor. This method gauge-symmetrizes the EMT without necessarily making it symmetric, which is adequate for applications not involving general relativity. For first-order electromagnetic field theories, such as the standard Maxwell system, $F^{σμν}$ reduces to the familiar BR superpotential $S^{σμν}$, and the method developed can be used as a simpler procedure to calculate $S^{σμν}$ without employing the angular momentum tensor in 4D spacetime. When the electromagnetic system is coupled to classical charged particles, the gauge-symmetrization method for EMTs is shown to be effective as well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Competition between roughness and strength for scale-dependent surfaces

Rocks famously have scale-dependent strength, yet the actual dependence is notoriously hard to measure or incorporate into any theoretical framework. Natural rough surfaces present an opportunity to solve the problem. Surfaces sliding in shear evolve as protrusions collide. These asperities can deform or break, thus creating a new surface shape. In particular, natural surfaces have roughness at all scales as well as scale-dependent strength. Based on a scaling analysis, we have previously suggested that the scale-dependent aspect ratio of steady-state surfaces should be proportional to the scale-dependent shear strain at yield. If true, scale-dependent strength could easily be inferred from natural surfaces. Thus, moving beyond the scaling argument to a rigorous treatment of scale-dependent strength for multiscale rough surfaces in shear is important. However, analytic frameworks for analyzing multiscale problems are challenging, as conventional continuum mechanics typically involves a single value for a material property across scales. Here, in this work, we build on the formalism of Persson (2001) that presents a method to compute contact area for rough surfaces with a prescribed topographic spectrum using a stochastic differential equation. The Persson formalism allows for plastic yield under normal loading of otherwise elastic materials and leaves open the possibility of scale-dependent yield stress. In this study, we pursue this route to develop a theory and numerical results for the yielding of a rough, elastoplastic surface with scale-dependent yield stress. Here, we examine surfaces for which the power spectrum of the topography 𝐶 and yield stress 𝑌 follow power laws as a function of scale 𝜆, such that 𝐶∼𝜆 −𝑚 and 𝑌∼𝜆 −𝑛 , respectively. In this formal treatment of the problem, we focus on surfaces in contact and the resulting yield and do not impose shear. Numerical solutions show that the deviation from the elastic scaling solution is bounded as expected by the prior 1D heuristic scaling argument that anticipates the Hurst exponent as 1−𝑛. We also show that the plasticity is expected to erode the contacts if 𝑚 is lower than 𝑛−3, which corresponds to a Hurst exponent lower than 1−𝑛/2. This result is rigorously sound for 2D, i.e., realistic surfaces, and quantitatively different than the prior scaling argument. The theory now permits a correspondingly quantitative approach to interpreting natural surfaces.

elasticity↗
DOE OSTI2022

Characterization of the Finite Element Computational Fluid Dynamics Capabilities in the Multiphysics Object Oriented Simulation Environment

We report the multiphysics object-oriented simulation environment (moose) is a code package that couples a variety of physics modules, allowing for highly accessible multiphysics simulations. The physics modules include a finite element Navier–Stokes (N–S) module that is designed to solve laminar fluid dynamics problems. The usage of this module in multiple recent studies coupled with the growing interest in moose for usage in nonlight water reactor safety studies by the Nuclear Regulatory Commission (NRC) prompted the authors to investigate the computational fluid dynamics capabilities of moose. A two-dimensional laminar flow past a circular cylinder scenario is simulated in the moose framework to investigate the effectiveness of the N–S module. Simulations assumed an unsteady laminar flow with a Reynolds number of 200. To verify the results from moose, similar simulations were conducted using the well-utilized simulation of turbulent flow in arbitrary regions—computational continuum mechanics C++ (star-ccm + ) finite volume code. Results from both codes are also compared to some results from literature. Velocity and pressure profiles of both transient simulations were compared. The numerical and input errors in moose are also visualized with contour plots to qualitatively understand the evolution of the errors across time and space. The comparisons between moose and star-ccm + showed nearly perfect agreement between the codes for velocity and pressure, especially after the development of the vortex street in later time-steps. The force coefficients showed excellent agreement after the development of the vortex street, but demonstrated notable discrepancies prior to the vortex street development, which is likely due to how each code simulated the approach to the vortex street in earlier time-steps.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Mapping Spatiotemporal Solvent Velocity from Measured Concentration Gradients in a Polarized Electrolyte

The electric-field induced motion of neutral species impedes the efficacy of electrochemical devices. By combining operando X-ray transmission measurements with continuum mechanics, we have developed a methodology for determining the velocity of neutral solvent molecules under an applied field. The X-ray transmission experiments were used to determine ion concentration profiles as a function of space and time in a polymer electrolyte. The unsteady state solvent mass balance equation was solved numerically with experimental concentration profiles to map spatiotemporal solvent velocities. We compare our experimentally derived results with predictions made with concentrated solution theory. We use the cation transference number as the only adjustable parameter to match experimental measurements of both concentration and solvent velocity. Our approach may be used to determine solvent velocity with any operando technique used to measure time-dependent ion concentration profiles.

Abdo, Emily E↗
DOE OSTI2022

A Micromorphic Length-Scale Coupling Framework for the Determination of Higher-Order Constitutive Models and the Multi-Scale Simulation of Heterogeneous Materials [Thesis]

Heterogeneous materials and materials with complex microstructures pose a unique challenge in the development of accurate models of their response to external stimuli. These difficulties principally arise due to the difficulty in characterizing and modeling the constituents and their interactions. It is usually possible, though non-trivial, to construct an explicit representation of the microstructure (a direct numeric simulation or DNS) but the method by which the complex modes of deformation and other processes can be homogenized to a reduced-order approximation is frequently unclear. Many homogenization approaches are ad-hoc and lack a strong justification beyond ease of computation. Furthermore, the homogenization approach can, in some cases, not utilize the full breadth of information available in the computation of the macro-scale stresses and deformation measures. It is also noteworthy that homogenization, by its very nature, will tend to obfuscate details of processes occurring at the lower length-scale. It is therefore of interest to include as much information as possible in the construction of the reduced-order model so as to be predictive in a variety of loading environments. We here present a length-scale bridging technique based upon the micromorphic continuum mechanics of Eringen which incorporates volume and surface area averages as a part of its construction. This approach enforces the balance equations at the micro-scale and then studies the effect of the spatially varying nature on the macro-scale. This leads, naturally, to further balance equations which are solved at the macro-scale. This work details a homogenization framework which arises naturally from the micromorphic construction of Eringen attempting to introduce no definitions beyond which are justifiable from micro-structural considerations. One of the results of this effort is the so-called “micromorphic filter” which has been developed and applied to several DNS to demonstrate its effectively. In order to determine the macroscopic degrees of freedom we utilize the special case of an overlap coupling technique where the macro-scale is fully constrained to the micro-scale. This enables us to study the resulting material properties as expected but also allows us to further study the boundary conditions on the additional degrees of freedom at the macro-scale.

42 ENGINEERING↗
DOE OSTI2024

MatCal Users Guide: Release 1.3.0

Any continuum mechanics model will require three components: (1) a discretized geometry of the boundary value problem being studied, (2) the partial differential equations to be solved, and (3) the initial conditions and boundary conditions for the problem. To describe material behavior in these computational models, material models contribute to (2) the underlying equations and, occasionally, to (3) the initial conditions for the simulation. These material models can exhibit a mathematical form that is empirically based, based on first principles, or developed from both empirical observations and known physics. In general, these models are meant to represent a class of materials with well understood behavior. As a result, material models have parameters that must be tuned or calibrated so that the model response matches characterization data available for the specific material it is intended to represent when used to simulate a specific system. For simple models, such as isotropic, linear elastic materials in solid mechanics, this calibration process can be a simple analytical calculation directly extracting the parameters from experimental measurements. For complex models that have many inputs and require many characterization datasets to adequately identify the material behavior, the model calibration process can require an inverse problem approach where an optimization is performed to tune the model parameters to the available data.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Lamination Model for Pressure-Assisted Sintering of Multilayered Porous Structures

This work describes a lamination model for pressure-assisted sintering of thin, multilayered, and porous structures based on the linear viscous constitutive theory of sintering and the classical laminated plate theory of continuum mechanics. A constant out-of-plane normal stress is assumed in the constitutive relation. The lamination relations between the force/moment resultants and the strain/curvature rates are presented. Numerical simulations were performed for a symmetric tri-layer laminate consisting of a 10% gadolinia doped ceria (Ce 0.9 Gd 0.1 O 1.95-δ ) composite structure, where porous layers were adhered to the top and bottom of a denser layer under uniaxially-applied pressures and the sinter forging conditions. The numerical results show that, compared with free sintering, the applied pressure can significantly reduce the sintering time required to achieve given layer thicknesses and porosities. Unlike free sintering, which results in a monotonic decrease of the laminate in-plane dimension, pressure-assisted sintering may produce an in-plane dimension increase or decrease, depending on the applied pressure and sintering time. Finally, the individual layers in the laminate exhibit different stress characteristics under pressure-assisted sintering.

42 ENGINEERING↗
NASA NTRS1972

COMOC: Thermal analysis variant. User's manual

The Thermal Analysis Variant of the COMOC (computational continuum mechanics) computer system solves problems involving transient heat conduction and convection in stationary continua spanning arbitrarily irregular two-dimensional and axisymmetric solution domains. COMOC is based upon a finite element solution algorithm for the energy equation, and solves for the transient nodal temperature distribution using a highly stable and automatic explicit integration procedure. COMOC is extensively user-oriented, requires minimal input, and no a priori knowledge concerning the stability character of the differential equation system. It can readily output computed data in user-specified format fields, that geometrically resemble the solution domain discretization (for rapid engineering evaluation). Complete information is provided for applying COMOC to a specific problem.

Bauer, A. M.↗
NASA NTRS1973

Theory of rheology

The structure of the modern theory of rheology is discussed to show the assumptions and limitations. Rheology is discussed as a branch of continuum mechanics to determine the relationships between stress, strain, and strain rate which will give a closer representation of lubricant properties than the Newtonian flow equation. Rheology is also investigated as a branch of chemical physics. Consideration is limited to those theories of nonpolymeric and polymeric fluids which can represent viscoelasticity in terms of identifiable and measureable molecular characteristics. The possibility that elastic liquids may rupture in shear and linear tension analogous to the failure of solids is proposed.

Hutton, J. F.↗
NASA NTRS1973

Adhesive-bonded scarf and stepped-lap joints

Continuum mechanics solutions are derived for the static load-carrying capacity of scarf and stepped-lap adhesive-bonded joints. The analyses account for adhesive plasticity and adherend stiffness imbalance and thermal mismatch. The scarf joint solutions include a simple algebraic formula which serves as a close lower bound, within a small fraction of a per cent of the true answer for most practical geometries and materials. Digital computer programs were developed and, for the stepped-lap joints, the critical adherend and adhesive stresses are computed for each step. The scarf joint solutions exhibit grossly different behavior from that for double-lap joints for long overlaps inasmuch as that the potential bond shear strength continues to increase with indefinitely long overlaps on the scarf joints. The stepped-lap joint solutions exhibit some characteristics of both the scarf and double-lap joints. The stepped-lap computer program handles arbitrary (different) step lengths and thickness and the solutions obtained have clarified potentially weak design details and the remedies. The program has been used effectively to optimize the joint proportions.

Hart-Smith, L. J.↗