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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Analytical modeling of structure-soil systems for lunar bases

The study of the behavior of granular materials in a reduced gravity environment and under low effective stresses became a subject of great interest in the mid 1960's when NASA's Surveyor missions to the Moon began the first extraterrestrial investigation and it was found that Lunar soils exhibited properties quite unlike those on Earth. This subject gained interest during the years of the Apollo missions and more recently due to NASA's plans for future exploration and colonization of Moon and Mars. It has since been clear that a good understanding of the mechanical properties of granular materials under reduced gravity and at low effective stress levels is of paramount importance for the design and construction of surface and buried structures on these bodies. In order to achieve such an understanding it is desirable to develop a set of constitutive equations that describes the response of such materials as they are subjected to tractions and displacements. This presentation examines issues associated with conducting experiments on highly nonlinear granular materials under high and low effective stresses. The friction and dilatancy properties which affect the behavior of granular soils with low cohesion values are assessed. In order to simulate the highly nonlinear strength and stress-strain behavior of soils at low as well as high effective stresses, a versatile isotropic, pressure sensitive, third stress invariant dependent, cone-cap elasto-plastic constitutive model was proposed. The integration of the constitutive relations is performed via a fully implicit Backward Euler technique known as the Closest Point Projection Method. The model was implemented into a finite element code in order to study nonlinear boundary value problems associated with homogeneous as well as nonhomogeneous deformations at low as well as high effective stresses. The effect of gravity (self-weight) on the stress-strain-strength response of these materials is evaluated. The calibration of the model is performed via three techniques: (1) physical identification, (2) optimized calibration at the constitutive level, and (3) optimized calibration at the finite element level (Inverse Identification). Activities are summarized in graphic and outline form.

Macari-Pasqualino, Jose Emir↗
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.↗
DOE OSTI2022

Discrimination of xylene isomers in a stacked coordination polymer

The separation and purification of xylene isomers is an industrially important but challenging process. Developing highly efficient adsorbents is crucial for the implementation of simulated moving bed technology for industrial separation of these isomers. Herein, we report a stacked one-dimensional coordination polymer {[Mn(dhbq)(H 2 O) 2 ], H 2 dhbq = 2,5-dihydroxy-1,4-benzoquinone} that exhibits an ideal molecular recognition and sieving of xylene isomers. Its distinct temperature-adsorbate–dependent adsorption behavior enables full separation of p -, m -, and o -xylene isomers in both vapor and liquid phases. The delicate stimuli-responsive swelling of the structure imparts this porous material with exceptionally high flexibility and stability, well-balanced adsorption capacity, high selectivity, and fast kinetics at conditions mimicking industrial settings. This study may offer an alternative approach for energy-efficient and adsorption-based industrial xylene separation and purification processes.

Science & Technology - Other Topics↗
DOE OSTI2021

A crystal plasticity finite element model embedding strain-rate sensitivities inherent to deformation mechanisms: Application to alloy AZ31

We report the fundamental power-law relationship representing the flow rule in crystal visco-plasticity ensures uniqueness in the selection of slip systems accommodating imposed plastic strain-rates. The power-law relationship also introduces an artificially high strain-rate sensitivity in crystal plasticity simulations, unless a high value of the power-law exponent is used. However, the use of high values for the exponent is limited by numerical tractability. This paper presents a numerical method implemented in a crystal plasticity finite element (CPFE) model for embedding any value of the power-law exponent reflecting the true material strain-rate sensitivity. Importantly, the method does not increase computation time involved in the simulations. The enhanced CPFE model is used to interpret and predict a complex strain-rate sensitive response and microstructural evolution of AZ31 Mg alloy. Measured values of strain-rate sensitivity for slip and twinning modes are used in the simulations. Calculations show that the model successfully captures the phenomena pertaining to the effect of changing applied strain-rate on the mechanical response including flow stress and evolution of texture and twinning for a broad range of strain-rates ranging from 10 -3 s -1 to 10 3 s -1 and loading orientations in tension and compression. It is shown that such predictions are a consequence of not only relative amounts of slip and twinning activities driven by a set of accurately characterized hardening law parameters but also values of the strain-rate sensitivities inherent to individual deformation mechanisms. Besides, the model validates the measured strain-rate dependency of deformation mechanisms while accurately reproducing the mechanical data. Hence, the model can be used to verify and further refine or infer measured strain-rate sensitivity per deformation mechanism by reproducing experimental data.

36 MATERIALS SCIENCE↗
NASA NTRS2000

Nonlinearity and Strain-Rate Dependence in the Deformation Response of Polymer Matrix Composites Modeled

There has been no accurate procedure for modeling the high-speed impact of composite materials, but such an analytical capability will be required in designing reliable lightweight engine-containment systems. The majority of the models in use assume a linear elastic material response that does not vary with strain rate. However, for containment systems, polymer matrix composites incorporating ductile polymers are likely to be used. For such a material, the deformation response is likely to be nonlinear and to vary with strain rate. An analytical model has been developed at the NASA Glenn Research Center at Lewis Field that incorporates both of these features. A set of constitutive equations that was originally developed to analyze the viscoplastic deformation of metals (Ramaswamy-Stouffer equations) was modified to simulate the nonlinear, rate-dependent deformation of polymers. Specifically, the effects of hydrostatic stresses on the inelastic response, which can be significant in polymers, were accounted for by a modification of the definition of the effective stress. The constitutive equations were then incorporated into a composite micromechanics model based on the mechanics of materials theory. This theory predicts the deformation response of a composite material from the properties and behavior of the individual constituents. In this manner, the nonlinear, rate-dependent deformation response of a polymer matrix composite can be predicted.

Goldberg, Robert K.↗
DOE OSTI2016

Uniaxial Compression of Cellular Materials at a 10 -1 s -1 Strain Rate Simultaneously with Synchrotron X-ray Computed Tomographic Imaging

The topic is presented as a series of slides. Motivation for the work included the following: X-ray tomography is a fantastic technique for characterizing a material’s starting structure as well as for non-destructive, in situ experiments to investigate material response; 3D X-ray tomography is needed to fully characterize the morphology of cellular materials; and synchrotron micro-CT can capture 3D images without pausing experiment. Among the conclusions reached are these: High-rate radiographic and tomographic imaging (0.25 s 3D frame rate) using synchrotron CT can capture full 3D images of hyper-elastic materials at a 10 -2 strain rate; dynamic true in situ uniaxial loading can be accurately captured; the three stages of compression can be imaged: bending, buckling, and breaking; implementation of linear modeling is completed; meshes have been imported into LANL modeling codes--testing and validation is underway and direct comparison and validation between in situ data and modeled mechanical response is possible.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Development and formulation of physics based metallic fuel models and comparison to integral irradiation data

Metallic fuel has an important historical significance in the development of nuclear reactors and continues to be relevant to the progression of advanced test and power reactors. A number of models, ranging from empirical to mechanistic, have been developed and implemented in various fuel performance codes to describe U-Zr and U-Pu-Zr fuel and typical fast reactor cladding materials. One challenge of using these models to simulate fuel performance is the inevitable tangling of coupled phenomena that can cloud proper implementation, calibration, and eventual utilization of new models. Here in an effort to provide a baseline capability that will facilitate the use of advanced models, new capabilities have been implemented into the fuel performance code BISON specific to metallic fuel simulations, ranging from materials properties, fission gas release and swelling calculations, coolant channel models, and cladding correlations. These models have been applied to the X441/X441A EBR-II experimental assembly data, a set of irradiated metallic UPuZr fuel rods of varying pin designs. The models implemented in BISON are able to capture the general trend of the expected response of the fuel and cladding to irradiation in EBR-II, especially when considering the spread in experimental measurements and the uncertainties inherited from the historical material models. Ultimately, the models outlined here provide the baseline capabilities on which new models can build upon in order to improve the prediction of metallic fuel performance simulations in off-normal designs or operations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1993

Axisymmetric micromechanics of elastic-perfectly plastic fibrous composites under uniaxial tension loading

The uniaxial response of a continuous fiber elastic-perfectly plastic composite is modeled herein as a two-element composite cylinder. An axisymmetric analytical micromechanics solution is obtained for the rate-independent elastic-plastic response of the two-element composite cylinder subjected to tensile loading in the fiber direction for the case wherein the core fiber is assumed to be a transversely isotropic elastic-plastic material obeying the Tsai-Hill yield criterion, with yielding simulating fiber failure. The matrix is assumed to be an isotropic elastic-plastic material obeying the Tresca yield criterion. It is found that there are three different circumstances that depend on the fiber and matrix properties: fiber yield, followed by matrix yielding; complete matrix yield, followed by fiber yielding; and partial matrix yield, followed by fiber yielding, followed by complete matrix yield. The order in which these phenomena occur is shown to have a pronounced effect on the predicted uniaxial effective composite response.

Lee, Jong-Won↗
DOE OSTI2017

Self-assembly in the systems of magnetic anisotropic nanoparticles

This paper presents the complex investigation of the system of magnetic anisotropic nanoparticles using computer simulations in a wide range of the system’s parameters. The cluster analysis was made, various average characteristics of the formed clusters were calculated and the initial magnetic susceptibility and the radial distribution function were computed. It was shown that via changing the nanoparticles characteristics (their shape and the values of the magnetic moments) it’s possible to change macroscopic response of the system, that implements the idea of tuning and design new materials with controllable properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Quantum effects on the dynamics and properties of soft materials

The quantum effects of nuclear and electronic motion play an important role in the structure, dynamics, and function of soft materials, yet they are difficult to capture with conventional classical simulations or static electronic–structure methods. In this work several complementary approaches for treating quantum effects in polymeric and soft–matter systems are demonstrated, with a focus being on the hydrogen-bonded networks, ion and charge transport, and photoactive chromophores. The proton transfer, tunneling, and isotope effects are captured within the reduced-dimensionality models by implementing grid-based nuclear quantum dynamics in terms of the discrete variable and Fourier bases. The nuclear quantum dynamics is extended to larger systems by employing the quantum trajectories and quantum–thermal bath schemes combined with on-the-fly electronic structure, enabling the description of high-dimensional polymeric environments at feasible cost. The dynamics in the electronic degrees of freedom, simulating the optical response in large chromophores such as chlorophylls, is performed using the real-time time-dependent density functional theory implemented in the real-space multigrid (RMG) code. These approaches are demonstrated on case studies of the proton and hydroxide transport in hydrated polymer membranes, charge transfer in conjugated polymers, and the optical spectra of chlorophyll chromophores relevant to polymerized chlorophyll materials and chlorophyll–polymer hybrids. The reviewed methods and applications highlight practical routes of including quantum effects in simulations of soft functional materials.

Garashchuk, Sophya [Univ. of South Carolina, Colum↗
DOE OSTI2020

A continuum framework for coupled solid deformation–fluid flow through anisotropic elastoplastic porous media

We present a continuum framework for coupled solid deformation–fluid flow in anisotropic elastoplastic porous media. A thermodynamic formulation of the coupled processes gives rise to an anisotropic Biot tensor that is a function of drained elastic tangent moduli tensor of the solid skeleton and the intrinsic bulk modulus of the solid constituent. Two effective stress measures emerge from the formulation, namely, σ', which is energy-conjugate to the elastic strain, and σ'', which is energy-conjugate to the plastic strain. For the special case of transverse isotropy that is commonly encountered in natural rocks, the Biot tensor can be expressed in terms of its normal and tangential components to the bedding plane, along with a microstructure tensor. Apart from its thermodynamic consistency, an advantage of this new formulation is that standard mixed finite element formulation can be employed to discretize the domain and solve initial boundary-value problems. We conduct plane strain simulations of coupled solid deformation–fluid flow in a transversely isotropic porous medium to demonstrate the impacts of material anisotropy, stress history, and the Biot tensor on the system response.

42 ENGINEERING↗
DOE OSTI2016

Spent nuclear fuel system dynamic stability under normal conditions of transportation

In a horizontal layout of a spent nuclear fuel (SNF) assembly under normal conditions of transportation (NCT), the fuel assembly’s skeleton formed by guide tubes and spacer grids is the primary load bearing structure for carrying and transferring the vibration loads within an SNF assembly. Therefore, the integrity of guide tubes and spacer grids will dictate the vibration amplitude/intensity of the fuel assembly during transport, and must be considered when designing multipurpose purpose canister (MPC) for safe SNF transport. This paper investigates the SNF assembly deformation dynamics during normal vibration mode, as well as the transient shock mode inside the cask during NCT. In conclusion, dynamic analyses were performed in the frequency domain to study frequency characteristic of the fuel assembly system and in the time domain to simulate the transient dynamic response of the fuel assembly.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Superplastic Creep of Metal Nanowires From Rate-Dependent Plasticity Transition

Understanding the time-dependent mechanical behavior of nanomaterials such as nanowires is essential to predict their reliability in nanomechanical devices. This understanding is typically obtained using creep tests, which are the most fundamental loading mechanism by which the time dependent deformation of materials is characterized. However, due to existing challenges facing both experimentalists and theorists, the time dependent mechanical response of nanowires is not well-understood. Here, we use atomistic simulations that can access experimental time scales to examine the creep of single-crystal face-centered cubic metal (Cu, Ag, Pt) nanowires. Here, we report that both Cu and Ag nanowires show significantly increased ductility and superplasticity under low creep stresses, where the superplasticity is driven by a rate-dependent transition in defect nucleation from twinning to trailing partial dislocations at the micro- or millisecond time scale. The transition in the deformation mechanism also governs a corresponding transition in the stress-dependent creep time at the microsecond (Ag) and millisecond (Cu) time scales. Overall, this work demonstrates the necessity of accessing time scales that far exceed those seen in conventional atomistic modeling for accurate insights into the time-dependent mechanical behavior and properties of nanomaterials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Ab initio molecular dynamics simulations of AlN responding to low energy particle radiation

Ab initio molecular dynamics simulations of low energy recoil events in wurtzite AlN have been performed to determine threshold displacement energies, defect production and evolution mechanisms, role of partial charge transfer during the process, and the influence of irradiation-induced defects on the properties of AlN. Here, the results show that the threshold displacement energies, E d , along the direction parallel to the basal planes are smaller than those perpendicular to the basal planes. The minimum E d values are determined to be 19 eV and 55 eV for N and Al atom, respectively, which occur along the [$\overline{11}20$] direction. In general, the threshold displacement energies for N are smaller than those for Al atom, indicating the N defects would be dominant under irradiation. The defect production mechanisms have been analyzed. It is found that charge transfer and redistribution for both the primary knock-on atom and the subsequent recoil atoms play a significant role in defect production and evolution. Similar to the trend in oxide materials, there is a nearly linear relationship between E d and the total amount of charge transfer at the potential energy peak in AlN, which provides guidance on the development of charge-transfer interatomic potentials for classic molecular dynamics simulations. Finally, the response behavior of AlN to low energy irradiation is qualitatively investigated. The existence of irradiation-induced defects significantly modifies the electronic structure, and thus affects the magnetic, electronic and optical properties of AlN. In conclusion, these findings further enrich the understanding of defects in the wide bandgap semiconductor of AlN.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Simultaneously Coupled Mechanical-Electrochemical-Thermal Simulation of Lithium-Ion Cells: Preprint

Understanding the combined electrochemical-thermal and mechanical response of a system has a variety of applications, for example, structural failure from electrochemical fatigue and the potential induced changes of material properties. For lithium-ion batteries, there is an added concern over the safety of the system in the event of mechanical failure of the cell components. In this work, we present a generic multi-scale simultaneously coupled mechanical-electrochemical-thermal model to examine the interaction between mechanical failure and electrochemical-thermal responses. We treat the battery cell as a homogeneous material while locally we explicitly solve for the mechanical response of individual components using a homogenization model and the electrochemical-thermal responses using an electrochemical model for the battery. A benchmark problem is established to demonstrate the proposed modeling framework. The model shows the capability to capture the gradual evolution of cell electrochemical-thermal responses, and predicts the variation of those responses under different short-circuit conditions.

25 ENERGY STORAGE↗
DOE OSTI2017

WSMR FBR Modeling

A dynamic system simulation model of the WSMR Fast Burst Reactor (FBR) has been developed to simulate the time-dependent behavior of prompt burst excursions. The model combines neutron kinetics with fuel material hydrodynamics to track both fission power and the thermo-physical response of the fuel. This model is used to characterize prompt burst behavior, such as spike yield and pulse FWHM, and to serve as a time-dependent source for predicting associated FBR phenomena, such as electric field generation and atmospheric fluorescence.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1976

Fire safety evaluation of aircraft lavatory and cargo compartments

A program of experimental fires has been carried out to assess fire containment and other fire hazards in lavatory and cargo compartments of wide-body jet aircraft by evaluation of ignition time, burn-through time, fire spread rate, smoke density, evolution of selected combustible and toxic gases, heat flux, and detector response. Two tests were conducted: one involving a standard Boeing 747 lavatory and one involving a simulated DC-10 cargo compartment. A production lavatory module was furnished with conventional materials and was installed in an enclosure. The ignition load was four polyethylene bags containing paper and plastic waste materials representive of a maximum flight cabin waste load. Standard aircraft ventilation conditions were utilized and the lavatory door was closed during the test. Lavatory wall and ceiling panels contained the fire spread during the 30-minute test. Smoke was driven into the enclosure primarily through the ventilation grille in the door and through the gaps between the bifold door and the jamb where the door distorted from the heat earlier in the test. The interior of the lavatory was almost completely destroyed by the fire.

Kourtides, D. A.↗
NASA NTRS2005

Performance of a Light-Weight Ablative Thermal Protection Material for the Stardust Mission Sample Return Capsule

New tests and analyses are reported that were carried out to resolve testing uncertainties in the original development and qualification of a lightweight ablative material used for the Stardust spacecraft forebody heat shield. These additional arcjet tests and analyses confirmed the ablative and thermal performance of low density Phenolic Impregnated Carbon Ablator (PICA) material used for the Stardust design. Testing was done under conditions that simulate the peak convective heating conditions (1200 W/cm2 and 0.5 atm) expected during Earth entry of the Stardust Sample Return Capsule. Test data and predictions from an ablative material response computer code for the in-depth temperatures were compared to guide iterative adjustment of material thermophysical properties used in the code so that the measured and predicted temperatures agreed. The PICA recession rates and maximum internal temperatures were satisfactorily predicted by the computer code with the revised properties. Predicted recession rates were also in acceptable agreement with measured rates for heating conditions 37% greater than the nominal peak heating rate of 1200 W/sq cm. The measured in-depth temperature response data show consistent temperature rise deviations that may be caused by an undocumented endothermic process within the PICA material that is not accurately modeled by the computer code. Predictions of the Stardust heat shield performance based on the present evaluation provide evidence that the maximum adhesive bondline temperature will be much lower than the maximum allowable of 250 C and an earlier design prediction. The re-evaluation also suggests that even with a 25 percent increase in peak heating rates, the total recession of the heat shield would be a small fraction of the as-designed thickness. These results give confidence in the Stardust heat shield design and confirm the potential of PICA material for use in new planetary probe and sample return applications.

Covington, M. A.↗