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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 847 records · Page 47

Ultrasonic Nondestructive Characterization of Adhesive Bonds

Qualitative measurements of adhesion or binding forces can be accomplished, for example, by using the reflection coefficient of an ultrasound or by using thermal waves (Light and Kwun, 1989, Achenbach and Parikh, 1991, and Bostrom and wickham, 1991). However, a quantitative determination of binding forces is rather difficult. It has been observed that higher harmonics of the fundamental frequency are generated when an ultrasound passes through a nonlinear material. It seems that such non-linearity can be effectively used to characterize the bond strength. Several theories have been developed to model this nonlinear effect (Adler and Nagy, 1991; Achenbach and Parikh, 1991; Parikh and Achenbach, 1992; and Hirose and Kitahara, 1992; Anastasi and Roberts, 1992). Based on a microscopic description of the nonlinear interface binding force, a quantitative method was presented by Pangraz and Arnold (1994). Recently, Tang, Cheng and Achenbach (1997) made a comparison between the experimental and simulated results based on this theoretical model. A water immersion mode-converted shear wave through-transmission setup was used by Berndt and Green (1997) to analyze the nonlinear acoustic behavior of the adhesive bond. In this project, the nonlinear responses of an adhesive joint was investigated through transmission tests of ultrasonic wave and analyzed by the finite element simulations. The higher order harmonics were obtained in the tests. It is found that the amplitude of higher harmonics increases as the aging increases, especially the 3dorder harmonics. Results from the numerical simulation show that the material nonlinearity does indeed generate higher order harmonics. In particular, the elastic-perfect plastic behavior generates significant 3rd and 5th order harmonics.

Qu, Jianmin↗

On the strength of transversely isotropic rocks: On the strength of transversely isotropic rocks

Accurate prediction of strength in rocks with distinct bedding planes requires knowledge of the bedding plane orientation relative to the load direction. Thermal softening adds complexity to the problem since it is known to have significant influence on the strength and strain localization properties of rocks. In this paper, we utilize a recently proposed thermoplastic constitutive model appropriate for rocks exhibiting transverse isotropy in both the elastic and plastic responses to predict their strength and strain localization properties. Recognizing that laboratory-derived strengths can be influenced by material and geometric inhomogeneities of the rock samples, we consider both stress-point and boundary-value problem simulations of rock strength behavior. Both plane strain and 3D loading conditions are considered. Results of the simulations of the strength of a natural Tournemire shale and a synthetic transversely isotropic rock suggest that the mechanical model can reproduce the general U-shaped variation of rock strength with bedding plane orientation quite well. We show that this variation could depend on many factors, including the stress loading condition (plane strain versus 3D), degree of anisotropy, temperature, shear-induced dilation versus shear-induced compaction, specimen imperfections, and boundary restraints, among others.

42 ENGINEERING↗

Discovering mechanisms relevant for radiation damage evolution

he response of a material to irradiation is a consequence of the kinetic evolution of defects produced during energetic damage events. Thus, accurate predictions of radiation damage evolution require knowing the atomic scale mechanisms associated with those defects. Atomistic simulations are a key tool in providing insight into the types of mechanisms possible. Further, by extending the time scale beyond what is achievable with conventional molecular dynamics, even greater insight can be obtained. Here, we provide examples in which such simulations have revealed new kinetic mechanisms that were not obvious before performing the simulations. We also demonstrate, through the coupling with higher level models, how those mechanisms impact experimental observables in irradiated materials. Lastly, we discuss the importance of these types of simulations in the context of predicting material behavior.

36 MATERIALS SCIENCE↗

Formation of helices with controllable chirality in gel-fiber composites

While microscale helices with specified chirality are pervasive in biological systems, driving purely synthetic materials to self-organize into such useful structures remains a significant challenge. Through theory and simulations, we model the behavior of initially flat ribbons of gel-fiber composites and show that these materials self-organize into three-dimensional helices with the application of heat. We specifically focus on thermo-responsive gels, which shrink when heated to a point near the lower critical solubility temperature (LCST). Within the composite, regions of the LCST gel that lie far from the fibers can readily shrink in response to the increased temperature; however, near the fibers the network is inhibited from undergoing the heat-induced collapse. This competition between the constrained and the unconstrained regions of the heated sample plays a vital role in the structural evolution of the material. Additionally, we find that this dynamic process can be controlled through the careful placement of the fibers on the outer surface of the gel. We specifically identify fiber arrangements that lead to the formation of helical structures with controlled chirality. Moreover, we isolate scenarios where constraining the movement of one or both the free ends of the sample promotes and stabilizes the formation of helical structures with specified handedness. Such structurally tailored composites are useful for creating mechanically robust actuators, and “appendages” for soft robots that can controllably curl and uncurl with variations in temperature.

36 MATERIALS SCIENCE↗

High-Temperature Water Adsorption Isotherms and Ambient Temperature Water Diffusion Rates on Water Harvesting Metal–Organic Frameworks

Water adsorption isotherms from 25 to 125 °C were measured for three metal−organic frameworks (MOFs), MOF-303, MOF-LA2-1, and MIL-100(Fe), which are frequently studied for water harvesting applications. The results show how the step in the water adsorption isotherm varies as a function of temperature and detail the combination of pressure and temperature necessary to remove adsorbed water. Furthermore, isobaric−isothermal Gibbs ensemble Monte Carlo simulations performed for MOF-303 shed light on the change in occupation numbers of the different known water adsorption sites with increasing temperature. Additionally, the diffusion rates of water through these materials were measured using concentration swing frequency response, and micropore diffusion was identified as the controlling mechanism. The Darken relation was used to show the dependence of the diffusion rate on the concentration and the impact of the adsorption isotherm slope. The adsorption of water on MOF-LA2-1 is faster than that on MIL-100(Fe). These data show that MOF-LA2-1 with its high-water adsorption capacity, quick adsorption rate, and favorable desorption energetics is a leading candidate for atmospheric water harvesting.

Adsorption↗

Forced vibrations of multi-component compliant tanks and feedlines

An analytical and experimental research program was performed to investigate the effects of flexible tanks and lines and the total system dynamic response of a simple physical system which had some of the essential features of a liquid-fueled launch vehicle. Several vessel-wall materials were used to obtain a range of elastic moduli. Water was used to simulate the fuel and an electromagnetic shaker provided external excitation such as might originate from a rocket-propulsion system. Experimental data were compared to values obtained from mathematical models for the many degree-of-freedom lumped-mass representation.

Smith, H. W.↗

Design, Fabrication and Testing of an Experimental Apparatus for Determining Particle Behavior Under Very Low Intergranular Stresses

Because the constitutive laws for soils are governed mainly by interparticle friction, all aspects of their mechanical behavior depend strongly on gravitational body forces. This fact poses serious limitations on the formulation of a materially objective soil constitutive theory, based on experimentation performed on Earth. In particular, the presence of the Earth's gravity prohibits the design of controlled experiments to properly simulate a variety of critical phenomena associated with the dynamic response of soils to seismic excitation in a very low effective confining stress field. For these reasons, laboratory-controlled experiments in the Space Shuttle, under essentially zero-gravity conditions, could offer invaluable opportunities for developing a quantitative understanding of fundamental aspects of soil behavior during or after an earthquake, which, in turn, could result in significant technological advances in geotechnical earthquake engineering.

Sture, S.↗

Concurrent material-fabrication optimization of metal-matrix laminates under thermo-mechanical loading

A methodology is developed to tailor fabrication and material parameters of metal-matrix laminates for maximum loading capacity under thermomechanical loads. The stresses during the thermomechanical response are minimized subject to failure constrains and bounds on the laminate properties. The thermomechanical response of the laminate is simulated using nonlinear composite mechanics. Evaluations of the method on a graphite/copper symmetric cross-ply laminate were performed. The cross-ply laminate required different optimum fabrication procedures than a unidirectional composite. Also, the consideration of the thermomechanical cycle had a significant effect on the predicted optimal process.

Saravanos, D. A.↗

A method for the probabilistic design assessment of composite structures

A formal procedure for the probabilistic design assessment of a composite structure is described. The uncertainties in all aspects of a composite structure (constituent material properties, fabrication variables, structural geometry, service environments, etc.), which result in the uncertain behavior in the composite structural responses, are included in the assessment. The probabilistic assessment consists of design criteria, modeling of composite structures and uncertainties, simulation methods, and the decision making process. A sample case is presented to illustrate the formal procedure and to demonstrate that composite structural designs can be probabilistically assessed with accuracy and efficiency.

Shiao, Michael C.↗

Dust Abrasion Damage on Martian Solar Arrays: Experimental Investigation and Opportunity Rover Performance Analysis

Here we investigate the effects of erosion and weathering that occur on III-V cover-glass interconnected cells (CICs) after exposure to Mars dust storm conditions. The durability of these materials in a Martian environment is not well characterized so we perform analogous experimentation. To replicate the dust impingement, test coupons were placed in an enclosure and sandblasted with Mars dust simulant. We show the J-V response dependency on both incident angle and exposure times. We find that the simulated Martian dust storm often results in damage to the anti-reflective coating and subsequent reduced short circuit current. Reduction in the open circuit voltage is observed, likely caused by structural damage to the crystal lattice after CIC fracture. We employ data-driven modeling to determine a performance degradation rate that is consistent with zero within uncertainty. We also quantify the soiling contribution and power degradation of the photovoltaic cells on Mars through analysis of 4.95 Martian years of report-out power conditions from the Opportunity rover. We find that atmospheric dust suspended due to a weather event does not result in instantaneous settled dust on the PV cells. We calculate via autocorrelation function that the dust settling rate is approximately 21 Sols from atmospheric dust suspension. The findings presented here deliver a realistic approximation for the insolation values and subsequent PV power expected over time on the Martian surface thus informing future dust abatement systems.

McMillon-Brown, Lyndsey↗

Dust Abrasion Damage on Martian Solar Arrays: Experimental Investigation and Opportunity Rover Performance Analysis

Here we investigate the effects of erosion and weathering that occur on III-V cover-glass interconnected cells (CICs) after exposure to Mars dust storm conditions. The durability of these materials in a Martian environment is not well characterized so we perform analogous experimentation. To replicate the dust impingement, test coupons were placed in an enclosure and sandblasted with Mars dust simulant. We show the J-V response dependency on both incident angle and exposure times. We find that the simulated Martian dust storm often results in damage to the anti-reflective coating and subsequent reduced short circuit current. Reduction in the open circuit voltage is observed, likely caused by structural damage to the crystal lattice after CIC fracture. We employ data-driven modeling to determine a performance degradation rate that is consistent with zero within uncertainty. We also quantify the soiling contribution and power degradation of the photovoltaic cells on Mars through analysis of 4.95 Martian years of report-out power conditions from the Opportunity rover. We find that atmospheric dust suspended due to a weather event does not result in instantaneous settled dust on the PV cells. We calculate via autocorrelation function that the dust settling rate is approximately 21 Sols from atmospheric dust suspension. The findings presented here deliver a realistic approximation for the insolation values and subsequent PV power expected over time on the Martian surface thus informing future dust abatement systems.

McMillon-Brown, Lyndsey↗

MEDLI2: MISP Inferred Aerothermal Environment and Flow Transition Assessment

The Mars Entry, Descent, and Landing Instrumentation 2 (MEDLI2) sensor suite on the Mars2020 mission contained multiple sensors on the aeroshell to measure the aerothermal environment during entry into the Martian atmosphere. These sensors performed superbly and successfully returned forebody and aftbody heating measurements. Analysis of MEDLI2 data indicated flow transitioning from a laminar to turbulent state on the heatshield. No evidence of flow transition was observed on the backshell. Two methods were used to estimate flow transition times on the heatshield: (1) temperature gradient of near-surface thermocouple data and (2) heat flux gradient from an inverse reconstruction approach using thermocouple data and material response modeling. Both methods produced similar transition times with an estimated accuracy of ±1 s. To assess various transition criteria, transition parameters were evaluated at each sensor location using flow field solutions from computational fluid dynamics (CFD) simulations. The idea was to use conservative values inferred from MEDLI2 data as transition criteria for other Mars missions. To test this hypothesis, MEDLI data from the Mars Science Laboratory (MSL) mission was used to compare predicted vs. actual flow transition times. The comparisons suggest smooth wall transition criteria are not well-suited in modeling the rapid progression of a turbulent transition front. Transition criteria containing a roughness element parameter agreed better with the flight data. In summary, critical transition values derived from MEDLI2 data may be used as a starting point in constructing a flow transition model for future Mars missions.

Chun Y Tang↗

Numerical simulation of systems of shear bands in ductile metal with inclusions

We develop a method for numerical simulations of high strain-rate loading of mesoscale samples of ductile metal with inclusions. Because of its small-scale inhomogeneity, the composite material is prone to localized shear deformation (adiabatic shear bands). This method employs the Generalized Method of Cells of Paley and Aboudi [Mech. Materials, vol. 14, pp. 127–139, 1992] to ensure that the micro mechanical behavior of the metal and inclusions is reflected properly in the behavior of the composite at the mesoscale. To find the effective plastic strain rate when shear bands are present, we extend and apply the analytic and numerical analysis of shear bands of Glimm, Plohr, and Sharp [Mech. Materials, vol. 24, pp. 31–41, 1996]. Our tests of the method focus on the stress/strain response in uniaxial-strain flow, both compressive and tensile, of depleted uranium metal containing silicon carbide inclusions. We use the Preston-Tonks-Wallace viscoplasticity model [J. Appl. Phys., vol. 93, pp. 211–220, 2003], which applies to the high strain-rate regime of an isotropic viscoplastic solid. In results, we verify the elevated temperature and thermal softening at shear bands in our simulations of pure DU and DU/SiC composites. We also note that in composites, due the asymmetry caused by the inclusions, shear band form at different times in different subcells. In particular, in the subcells near inclusions, shear band form much earlier than they do in pure DU.

36 MATERIALS SCIENCE↗

Mesoscale shock structure in particulate composites

Multiscale experiments in heterogeneous materials and the knowledge of their physics under shock compression are limited. Here, this study examines the multiscale shock response of particulate composites comprised of soda-lime glass particles in a PMMA matrix using full-field high speed digital image correlation (DIC) for the first time. Normal plate impact experiments, and complementary numerical simulations, are conducted at stresses ranging from 1.1 - 3.1 GPa to elucidate the mesoscale mechanisms responsible for the distinct shock structure observed in particulate composites. The particle velocity from the macroscopic measurement at continuum scale shows a relatively smooth velocity profile, with shock thickness decreasing with an increase in shock stress, and the composite exhibits strain rate scaling as the second power of the shock stress. In contrast, the mesoscopic response was highly heterogeneous, which led to a rough shock front and the formation of a train of weak shocks traveling at different velocities. Additionally, the normal shock was seen to diffuse the momentum in the transverse direction, affecting the shock rise and the rounding-off observed at the continuum scale measurements. The numerical simulations indicate that the reflections at the interfaces, wave scattering, and interference of these reflected waves are the primary mechanisms for the observed rough shock fronts.

36 MATERIALS SCIENCE↗

Characterization of the Fusion Zone in Laser Beam Welds on SS304L

Designing a welded joint requires consideration of the welding process, component/assembly structure and weld geometry, material composition, properties, and desired joint performance. The designer must also specify a set of acceptance criteria used to evaluate the welds. This study was conducted to support the design team responsible for specifying the spot weld profile by investigating the relationship between weld process parameters and the weld geometry and properties to further inform design optimization. The subjects of this study are two thin stainless steel 304L (SS304L) components joined by Laser Beam Welding (LBW). The components are the Housing, which contains flexible circuitry, and the Cover that protects the circuitry during handling, installation, and under service loads. Figure 1 illustrates coupon versions of the Cover and Housing used to simulate the interface between these components for weld testing. These coupon representations of assembly components were designed to match the material and relevant geometry related to the welded joint while other features not relevant to the welded joint are excluded.The objective of this study was to characterize the sensitivity of the weld geometry and mechanical properties to the input weld parameters to inform further Finite Element Analysis (FEA) efforts in balancing joint strength against assembly deformation caused by the welding process. Characterization was accomplished by varying laser welding parameters around the current design values and measuring weld geometry on the cross-sections. Nanoindentation with a spherical and flat-ended tip was used on polished section cuts of the weld to obtain direct estimates of the stress-strain response of the Fusion Zone (FZ) for comparison to the Base Metal (BM).

42 ENGINEERING↗

ForceGen: End-to-end de novo protein generation based on nonlinear mechanical unfolding responses using a language diffusion model

Through evolution, nature has presented a set of remarkable protein materials, including elastins, silks, keratins and collagens with superior mechanical performances that play crucial roles in mechanobiology. However, going beyond natural designs to discover proteins that meet specified mechanical properties remains challenging. Here, we report a generative model that predicts protein designs to meet complex nonlinear mechanical property-design objectives. Our model leverages deep knowledge on protein sequences from a pretrained protein language model and maps mechanical unfolding responses to create proteins. Via full-atom molecular simulations for direct validation, we demonstrate that the designed proteins are de novo, and fulfill the targeted mechanical properties, including unfolding energy and mechanical strength, as well as the detailed unfolding force-separation curves. Our model offers rapid pathways to explore the enormous mechanobiological protein sequence space unconstrained by biological synthesis, using mechanical features as the target to enable the discovery of protein materials with superior mechanical properties.

59 BASIC BIOLOGICAL SCIENCES↗

Fluorophilic Sigma(σ)‐Lock Self‐Healable Copolymers

Although F-Containing molecules and macromolecules are often used in molecular biology to increase the binding with Lewis acidic groups by introducing favorable C−F dipoles, there is virtually no experimental evidence and limited understanding of the nature of these interactions, especially their role in synthetic polymeric materials. These studies elucidate the molecular origin of inter- and intra-Chain interactions responsible for self-healing of F-Containing copolymers composed of pentafluorostyrene and n-butyl acrylate units (p(PFS/nBA). Guided by dynamic surface oscillating force (SOF) and spectroscopic measurements supported by molecular dynamics (MD) simulations, these studies show that the reformation of σ-σ orbitals in −C−F of PFS and CH 3 CH 2 − of nBA units enables the recovery of entropic energy via fluorophilic-σ-lock van der Waals forces when PFS/nBA molar ratios are ~50/50. The strength of these interactions determined experimentally for self-healable PFS/nBA compositions is in the order ~0.3 kcal/mol which primarily comes from fluorophilic-σ-lock (~70 %) contributions. These interactions are significantly diminished for non-self-healable counterparts. Strongly polarized −C−F σ orbitals create lateral dipolar forces enhancing the affinity towards −C−H orbitals, facilitating energetically favorable interactions. Entropic recovery driven by non-Covalent bonding offers a valuable tool in designing materials with unique functionalities, particularly self-healable batteries and energy storage devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CIRFT Testing of High-Burnup Used Nuclear Fuel Rods from the Pressurized Water Reactor and Boiling Water Reactor Environments (FY 2015 Status Report)

High burn-up spent nuclear fuel (SNF) cladding has a significant amount of microcracks and hydrides, which will reduce the stress intensity required for crack growth. The potential linking of microcracks during vibration loading could also reduce the fatigue threshold/incubation period significantly, accelerating fatigue failure. In addition to cladding damage, the microstructure of fuel pellets and the characteristics of the interfaces between fuel pellets and between fuel pellets and cladding are likely to be dramatically changed after high burn-up. These modifications can have a direct impact on the structural integrity and vibration response of SNF rods in transportation. As a result, vibration has been included as one of the mandatory testing conditions in the structural evaluation of packages used by the US Nuclear Regulation Commission (NRC) in transporting SNF (10 CFR §71.71). Prior to this program development, no current system is available to test the SNF and evaluate the performance of fuel rods during spent fuel transportation. The objective of this research is to develop a system that can appropriately test the response of high-burnup SNF rods in a simulated loading condition.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗