SEARCH · Engineering Papers

Results for “constitutive models”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,009 records · Page 56

All sources NASA NTRS DOE OSTI

NASA NTRS1999

A Process-based, Climate-Sensitive Model to Derive Methane Emissions from Natural Wetlands: Application to 5 Wetland Sites, Sensitivity to Model Parameters and Climate

Methane emissions from natural wetlands constitutes the largest methane source at present and depends highly on the climate. In order to investigate the response of methane emissions from natural wetlands to climate variations, a 1-dimensional process-based climate-sensitive model to derive methane emissions from natural wetlands is developed. In the model the processes leading to methane emission are simulated within a 1-dimensional soil column and the three different transport mechanisms diffusion, plant-mediated transport and ebullition are modeled explicitly. The model forcing consists of daily values of soil temperature, water table and Net Primary Productivity, and at permafrost sites the thaw depth is included. The methane model is tested using observational data obtained at 5 wetland sites located in North America, Europe and Central America, representing a large variety of environmental conditions. It can be shown that in most cases seasonal variations in methane emissions can be explained by the combined effect of changes in soil temperature and the position of the water table. Our results also show that a process-based approach is needed, because there is no simple relationship between these controlling factors and methane emissions that applies to a variety of wetland sites. The sensitivity of the model to the choice of key model parameters is tested and further sensitivity tests are performed to demonstrate how methane emissions from wetlands respond to climate variations.

Walter, Bernadette P.↗

DOE OSTI2024

Learning Constitutive Relations From Soil Moisture Data via Physically Constrained Neural Networks

Abstract The constitutive relations of the Richardson‐Richards equation encode the macroscopic properties of soil water retention and conductivity. These soil hydraulic functions are commonly represented by models with a handful of parameters. The limited degrees of freedom of such soil hydraulic models constrain our ability to extract soil hydraulic properties from soil moisture data via inverse modeling. We present a new free‐form approach to learning the constitutive relations using physically constrained neural networks. We implemented the inverse modeling framework in a differentiable modeling framework, JAX, to ensure scalability and extensibility. For efficient gradient computations, we implemented implicit differentiation through a nonlinear solver for the Richardson‐Richards equation. We tested the framework against synthetic noisy data and demonstrated its robustness against varying magnitudes of noise and degrees of freedom of the neural networks. We applied the framework to soil moisture data from an upward infiltration experiment and demonstrated that the neural network‐based approach was better fitted to the experimental data than a parametric model and that the framework can learn the constitutive relations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Studying Transient Phenomena in Thin Films with Reinforcement Learning

Neutron reflectometry has long been a powerful tool to study the interfacial properties of energy materials. Recently, time-resolved neutron reflectometry has been used to better understand transient phenomena in electrochemical systems. Those measurements often comprise a large number of reflectivity curves acquired over a narrow q range, with each individual curve having lower information content compared to a typical steady-state measurement. In this work, we present an approach that leverages existing reinforcement learning tools to model time-resolved data to extract the time evolution of structure parameters. Further, by mapping the reflectivity curves taken at different times as individual states, we use the Soft Actor-Critic algorithm to optimize the time series of structure parameters that best represent the evolution of an electrochemical system. We show that this approach constitutes an elegant solution to the modeling of time-resolved neutron reflectometry data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Woven ceramic matrix composite surrogate model based on physics-informed recurrent neural network

A recurrent neural network (RNN) based surrogate model is developed to emulate the nonlinear constitutive behavior of woven ceramic matrix composites (CMCs) driven by matrix damage at multiple length scales. Physics-informed constraints are introduced into the surrogate model through regularization to ground the prediction in physics and improve its predictive capabilities. Training data is generated using the multiscale generalized method of cells (MSGMC) approach coupled with a matrix damage model. This coupling permits simulating the nonlinear behavior of woven CMCs based on constituent response at the micro-, meso-, and macroscales. The multiscale repeating unit cell is loaded under non-monotonic conditions including multiple load / unload cycles and tension / compression. The fiber volume fraction as well as the intra- and intertow void volume fractions are also varied in the generation of training data. Therefore, the RNN-based surrogate model is tasked with predicting, as a function of variable input strain sequence and fiber and void volume fractions, the resulting stress versus strain response while satisfying physical constraints such as positive semi-definiteness of the tangent stiffness matrix and linear elastic unloading. Further, the trained surrogate model effectively matches the stress versus strain response and successfully predicts the tangent modulus throughout the loading regime. Neural network based surrogate models can offer efficient alternatives to running computationally intensive multiscale material models to simulate the nonlinear response of large structural models. Therefore the presented work provides evidence towards the feasibility of developing, training, and running such models for CMCs with complex architectures, nonlinear multiaxial material response, and under non-monotonic loading conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1992

Preconditioning for stratospheric sudden warmings - Sensitivity studies with a numerical model

Results are presented of numerical experiments performed to determine what constitutes preconditioning for stratospheric sudden warmings. A number of 20-d runs were performed with a 3D primitive equation model. Runs varied in that they had different (zonally symmetric) initial fields and different lower boundary planetary wave fields, both based on NMC data for particular days. Initial and boundary data were used from the two minor and the sole major sudden warmings of January-February 1979 and some minor and the sole major sudden warmings of January-February 1989. To isolate the properties of the initial conditions from preconditioned cases and those with no warming, hybrid initial fields were created by combining data from two different days, one preconditioned and the other not. Runs with the hybrid initial conditions indicate that it is the lower stratospheric winds that are important in characterizing a preconditioned flow. It is suggested that it would be possible for a preconditioned state to exist for at least a short time without a warming occurring.

Smith, Anne K.↗

NASA NTRS1992

An approximate local thermodynamic nonequilibrium radiation model for air

A radiatively coupled viscous shock layer analysis program which includes chemical and thermal nonequilibrium is used to calculate stagnation point flow profiles for typical aeroassisted orbital transfer vehicle conditions. Two methods of predicting local thermodynamic nonequilibrium radiation effects are used as a first and second order approximation to this phenomena. Tabulated results for both nitrogen and air freestreams are given with temperature, species, and radiation profiles for some air conditions. Two body solution results are shown for 45 and 60 degree hyperboloid bodies at 12 km/sec and 80 km altitude. The presented results constitute an advancement in the engineering modeling of radiating nonequilibrium reentry flows.

Gally, Thomas A.↗

NASA NTRS1992

An approximate local thermodynamic nonequilibrium radiation model for air

Gally, Thomas A.↗

DOE OSTI2025

Irreversible thermodynamics of curved lipid membranes. II. Permeability and osmosis

We present a theory that combines the framework of irreversible thermodynamics with modified integral theorems to model arbitrarily curved and deforming membranes immersed in bulk fluid solutions. We study the coupling between the mechanics and permeability of a viscous and elastically bendable membrane, and a multicomponent bulk fluid solution. An equation for the internal entropy production for irreversibilities at the membrane is derived, determining the generalized thermodynamic forces and fluxes, from which we identify the deviatoric stress as a novel driving force for permeability. A complete set of equations of motion, constitutive laws, and boundary conditions to model the lipid membrane and bulk fluid system are provided.

Alkadri, Ahmad M↗

NASA NTRS2002

Nonlinear Viscoelastic Mechanics of Cross-linked Rubbers

The paper develops a general theory for finite rubber viscoelasticity, and specifies it in the form, convenient for solving problems important for rubber, tire and space industries. Based on the quasi-linear approach of non-equilibrium thermodynamics, a general nonlinear theory has been developed for arbitrary nonisothermal deformations of viscoelastic solids. In this theory, the constitutive equations are presented as the sum of known equilibrium (rubber elastic) and non-equilibrium (liquid polymer viscoelastic) terms. These equations are then simplified using several modeling arguments. Stability constraints for the proposed constitutive equations are also discussed. It is shown that only strong ellipticity criteria are applicable for assessing stability of the equations governing viscoelastic solids.

Freed, Alan D.↗

NASA NTRS2016

Benchmarking of Computational Models for NDE and SHM of Composites

Ultrasonic wave phenomena constitute the leading physical mechanism for nondestructive evaluation (NDE) and structural health monitoring (SHM) of solid composite materials such as carbon-fiber-reinforced polymer (CFRP) laminates. Computational models of ultrasonic guided-wave excitation, propagation, scattering, and detection in quasi-isotropic laminates can be extremely valuable in designing practically realizable NDE and SHM hardware and software with desired accuracy, reliability, efficiency, and coverage. This paper presents comparisons of guided-wave simulations for CFRP composites implemented using three different simulation codes: two commercial finite-element analysis packages, COMSOL and ABAQUS, and a custom code implementing the Elastodynamic Finite Integration Technique (EFIT). Comparisons are also made to experimental laser Doppler vibrometry data and theoretical dispersion curves.

composite materials↗

NASA NTRS1993

The Stickney impact of Phobos - A dynamical model

The hypervelocity impact that excavated the Stickney crater on Phobos is numerically modeled in order to understand the effects this collision had on the interior and surface of Phobos. The model assumes homogeneity prior to impact based on Fujiwara's (1991) results. Constitutive relations for water ice and basalt are applied in tandem models. Fracture energetics is used to show that the impact itself is sufficient to cause the cracks observed on Phobos. It is further shown that the Stickney impact itself could not have created large voids; thus, the low density of Phobos must either be compositional in nature or else the result of porosity at a scale sufficiently small to avoid scattering the impact energy substantially.

Asphaug, E.↗

DOE OSTI2022

An Eulerian crystal plasticity framework for modeling large anisotropic deformations in energetic materials under shocks

Here, this paper demonstrates a novel Eulerian computational framework for modeling anisotropic elastoplastic deformations of organic crystalline energetic materials (EM) under shocks. While Eulerian formulations are advantageous for handling large deformations, constitutive laws in such formulations have been limited to isotropic elastoplastic models, which may not fully capture the shock response of crystalline EM. The present Eulerian framework for high-strain rates, large deformation material dynamics of EM incorporates anisotropic isochoric elasticity via a hypo-elastic constitutive law and visco-plastic single-crystal models. The calculations are validated against atomistic calculations and experimental data and benchmarked against Lagrangian (finite element) crystal plasticity computations for shock-propagation in a monoclinic organic crystal, octahydro-1,3,5,7-tetranitro-1,3,5,7 tetrazocine (β-HMX). The Cauchy stress components and the resolved shear stresses calculated using the present Eulerian approach are shown to be in good agreement with the Lagrangian computations for different crystal orientations. The Eulerian framework is then used for computations of shock-induced inert void collapse in β-HMX to study the effects of crystal orientations on hotspot formation under different loading intensities. The computations show that the hotspot temperature distributions and the collapse profiles are sensitive to the crystal orientations at lower impact velocities (viz., 500 m/s); when the impact velocity is increased to 1000 m/s, the collapse is predominantly hydrodynamic and the role of anisotropy is modest. The present methodology will be useful to simulate energy localization in shocked porous energetic material microstructures and other situations where large deformations of single and polycrystals govern the thermomechanical response.

42 ENGINEERING↗

NASA NTRS2002

Computational Simulation of the High Strain Rate Tensile Response of Polymer Matrix Composites

A research program is underway to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to high strain rate impact loads. Under these types of loading conditions, the material response can be highly strain rate dependent and nonlinear. State variable constitutive equations based on a viscoplasticity approach have been developed to model the deformation of the polymer matrix. The constitutive equations are then combined with a mechanics of materials based micromechanics model which utilizes fiber substructuring to predict the effective mechanical and thermal response of the composite. To verify the analytical model, tensile stress-strain curves are predicted for a representative composite over strain rates ranging from around 1 x 10(exp -5)/sec to approximately 400/sec. The analytical predictions compare favorably to experimentally obtained values both qualitatively and quantitatively. Effective elastic and thermal constants are predicted for another composite, and compared to finite element results.

Goldberg, Robert K.↗

NASA NTRS1990

Software Model Of Software-Development Process

Collection of computer programs constitutes software tool for simulation of medium- to large-scale software-development projects. Necessary to include easily identifiable and more-readily quantifiable characteristics like costs, times, and numbers of errors. Mathematical model incorporating these and other factors of dynamics of software-development process implemented in the Software Life Cycle Simulator (SLICS) computer program. Simulates dynamics of software-development process. In combination with input and output expert software systems and knowledge-based management software system, develops information for use in managing large software-development project. Intended to aid managers in planning, managing, and controlling software-development processes by reducing uncertainties in budgets, required personnel, and schedules.

Lin, Chi Y.↗

DOE OSTI2020

Modeling the dynamic response of rock masses with multiple compliant fluid saturated joint sets—Part I: Mesoscale simulations

Recently a mesoscale model was developed that includes thermomechanically consistent constitutive equations with dissipation due to porous compaction, inelastic distortional deformation rate, and slipping on persistent dry joint surfaces. In this Part I of a two-part paper, we describe enhancements of the mesoscale model which include: normal compliance with hysteresis, non-persistent joints with finite area, joint sets with angular deviation, and the weakening effect of fluid pressure in the joints. Examples study the influences of these effects on average strength. These computationally expensive simulations are used to inspire functional forms in a continuum model, described in Part II, which is needed for large scale simulations of real applications.

42 ENGINEERING↗

DOE OSTI2022

Methodology to Implement a Microgrid in a University Campus

This paper presents the method we followed to design a microgrid at a university campus based on available resources. Due to introduction of renewable resources to produce energy, a methodology that allows design a microgrid in a university campus is very useful. Hence, we present a series of steps that must be carried out to estimate the resource to be used, the installation, area needed, and the capacity of the systems needed are also described. In addition, the models of the distributed resources that constitutes the microgrid are presented and explained. To validate the proposed methodology, simulations were performed using Opal-RT-LAb. As a test scenario we selected the Mayagüez campus of the University of Puerto Rico where we conducted analysis of the available resource and capacity of the systems is needed to satisfy demand of critical loads, considering a predetermined number of days of austerity. Our study results in determination of dimensions, cost and effectiveness of the microgrid. Simulations results also show that the proposed microgrid satisfy demand with the same reliability, or better, than the traditional electrical network. Additionally, the best options for this purpose are photovoltaic, batteries, and combined heat and power, if the technological advances and availability of resources to the date for Puerto Rico are considered.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A constitutive structural parameter c b for the work hardening behavior of additively manufactured Ti-6Al-4V

The mechanical behavior of Ti-6Al-4V produced by additive manufacturing processes is assessed as based on a model derived from the Kocks–Mecking relationship. A constitutive parameter c b is derived from a linear Kocks–Mecking relationship for the microstructure that is characteristic of the work hardening behavior. The formulation for c b is determined by considering the plastic strain between the strengths at the proportional limit and the plastic instability. In this way, the model accommodates the variation in work hardening behavior observed when evaluating material as produced and tested along different orientations. The modeling approach is presented and evaluated for the case of Ti-6Al-4V additively manufactured materials as tested under quasi-static uniaxial tension. It is found that different test specimen orientations, along with postbuild heat treatments, produce a change in the microstructure and plasticity behavior which can be accounted for in the corresponding change of the c b values.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Spin-lattice model for cubic crystals

In this work, we present a methodology based on the Néel model to build a classical spin-lattice Hamiltonian for cubic crystals capable of describing magnetic properties induced by the spin-orbit coupling like magnetocrystalline anisotropy and anisotropic magnetostriction, as well as exchange magnetostriction. Taking advantage of the analytical solutions of the Néel model, we derive theoretical expressions for the parametrization of the exchange integrals and Néel dipole and quadrupole terms that link them to the magnetic properties of the material. This approach allows us to build accurate spin-lattice models with the desired magnetoelastic properties. We also explore a possible way to model the volume dependence of magnetic moment based on the Landau energy. This feature allows us to consider the effects of hydrostatic pressure on the saturation magnetization. We apply this method to develop a spin-lattice model for BCC Fe and FCC Ni, and we show that it accurately reproduces the experimental elastic tensor, magnetocrystalline anisotropy under pressure, anisotropic magnetostrictive coefficients, volume magnetostriction, and saturation magnetization under pressure at zero temperature. This work could constitute a step towards large-scale modeling of magnetoelastic phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗