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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Synthetic Lubricants Derived from Plastic Waste and their Tribological Performance

The energy efficiency, mechanical durability, and environmental compatibility of all moving machine components rely heavily on advanced lubricants for smooth and safe operation. Herein an alternative family of high-quality liquid (HQL) lubricants was derived by the catalytic conversion of pre- and post-consumer polyolefin waste. The plastic-derived lubricants performed comparably to synthetic base oils such as polyalphaolefins (PAOs), both with a wear scar volume (WSV) of 7.5×10 -5 mm -3 . HQLs also performed superior to petroleum-based lubricants such as Group III mineral oil with a WSV of 1.7×10 -4 mm -3 , showcasing a 44% reduction in wear. Furthermore, a synergistic reduction in friction and wear was observed when combining the upcycled plastic lubricant with synthetic oils. Additionally, life cycle and techno-economic analyses also showed this process to be energetically efficient and economically feasible. This novel technology offers a cost-effective opportunity to reduce the harmful environmental impact of plastic waste on our planet and to save energy through reduction of friction and wear-related degradations in transportation applications akin to synthetic oils.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Thermoplasticity and strain localization in transversely isotropic materials based on anisotropic critical state plasticity

Geomaterials including soils and rocks are inherently anisotropic and sensitive to temperature changes caused by various internal and external processes. They are also susceptible to strain localization in the form of shear bands when subjected to critical loads. In this paper, we present a thermo-plastic framework for modeling coupled thermo-mechanical response and for predicting the inception of a shear band in a transversely isotropic material using the general framework of critical state plasticity and the specific framework of an anisotropic modified Cam-Clay model. The formulation incorporates anisotropy in both elastic and plastic responses under the assumption of infinitesimal deformation. The model is first calibrated using experimental data from triaxial tests to demonstrate its capability in capturing anisotropy in the mechanical response. Subsequently, stress-point simulations of strain localization are carried out under two different conditions, namely, isothermal localization and adiabatic localization. The adiabatic formulation investigates the effect of temperature on localization via thermo-mechanical coupling. Numerical simulations are presented to demonstrate the important role of anisotropy, hardening, and thermal softening on strain localization inception and orientation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Natural Glyceryl Tributyrate as Plasticizer and Compatibilizer on the Performance of Bio-Based Polylactic Acid/poly(3-hydroxybutyrate) Blends

Bio-based poly(lactic acid)/poly(3-hydroxybutyrate) (PLA/PHB) films were melt-blended with a natural hydrophobic plasticizer (glyceryl tributyrate, TB) at three different concentrations (10, 15 and 20% by weight per 100 parts of the blends) to study the effect of TB on the final properties of the materials. The pursued aim was to obtain a material with potential use in the packaging industry. Two different PLA/PHB ratios were used, 70/30 and 60/40, respectively. A full characterization of the developed blends was carried out, including the morphological, thermal, mechanical and barrier properties. The thermal test revealed the immiscibility between PLA and PHB by showing two glass transition temperatures for the blends and biphasic melt. Mechanical tests showed the increased in the elongation at break as the plasticizer content in films increased. The incorporation of PHB crystals in the PLA matrix displayed an improvement in the water barrier properties of materials. Finally, formulations PLA/PHB-TB with 15 wt% of plasticizer presented the best combination of properties suitable for the intended use in films manufacturing, showing toughness and ductility, good water barrier properties and transparency with slightly amber color.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Plastic Deformation of Materials Under Loading Along Piecewise Smooth Trajectories with Areas of Unloading by the Elastic Law

Within the framework of a version of plasticity theory based on the concept of slip, we propose a method for the determination of plastic strains in materials with regard for the strain anisotropy in the case of loading applied along piecewise smooth trajectories (with areas of unloading according to the elastic law). The material function of plasticity Π used in this theory is determined, for a given function of hardening F , either from the tension–compression tests or from the tests with alternating torsion of thin-walled pipes.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mechanical Properties, Microstructural Evolution, and the Effect of Friction on the Plastic Flow of the AISI 321 Austenitic Stainless Steel Tube During Cold Pilgering: An Experimental and Simulation Analysis

The mechanical properties, microstructural evolution, and the effect of friction on the plastic flow of the AISI 321 austenitic stainless steel (ASS) tube were investigated during the cold pilger process. The elastic–plastic behavior of as-received tube was simulated by the Johnson-cook model. The model parameters were obtained by the compression and tensile tests. The mechanical properties of the material were examined by the tensile and microhardness tests. Based on the ring compression test results, three different situations for friction conditions were considered. The stress and strain states at these conditions were examined for the outer and inner surfaces of the tube. Numerical evaluation of plastic shearing due to the cold pilgering of the AISI321 tube was performed. The X-ray diffraction, ferrite scope tests, and optical microscope were also used for the microstructure evaluation and verification of the simulation results, respectively. The Latham-Cockcraft damage was calculated for different conditions by introducing the new subroutine, showing that it was strongly dependent on the friction conditions and the shear strain, ε{sub zr}, respectively. It was shown that the friction coefficient of 0.3 resulted in the minimum damage of the tube and the different friction conditions between the two surfaces of the tube enhanced the damage function. Also, the strain induced ά-martensite increased the work-hardening capacity and affected the ductility of the tube.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The Role of Elastic and Plastic Anisotropy of Sn in Recrystallization and Damage Evolution During Thermal Cycling in SAC305 Solder Joints

Because failures in lead-free solder joints occur at locations other than the most highly shear-strained regions, reliability prediction is challenging. To gain physical understanding of this phenomenon, physically based understanding of how elastic and plastic deformation anisotropy affect microstructural evolution during thermomechanical cycling is necessary. Upon solidification, SAC305 (Sn-3.0Ag-0.5Cu) solder joints are usually single or tricrystals. The evolution of microstructures and properties is characterized statistically using optical and orientation imaging microscopy. In situ synchrotron x-ray measurements during thermal cycling are used to examine how crystal orientation and thermal cycling history change strain history. Extensive characterization of a low-stress plastic ball grid array (PBGA) package design at different stages of cycling history is compared with preliminary experiments using higher-stress package designs. With time and thermal history, microstructural evolution occurs mostly from continuous recrystallization and particle coarsening that is unique to each joint, because of the specific interaction between local thermal and displacement boundary conditions and the strong anisotropic elastic, plastic, expansion, and diffusional properties of Sn crystals. The rate of development of recrystallized microstructures is a strong function of strain and aging. Cracks form at recrystallized (random) boundaries, and then percolate through recrystallized regions. Complications arising from electromigration and corrosion are also considered.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Analysis of Plastic Flow Instability During Superplastic Deformation of the Zn-Al Eutectoid Alloy Modified with 2 wt.% Cu

The aim of this work is to analyze the plastic flow instability in Zn-21Al-2Cu alloy deformed under 10{sup −3} s{sup −1} and 513 K, which are optimum conditions for inducing superplastic behavior in this alloy. An evaluation using the Hart and Wilkinson–Caceres criteria showed that the limited stability of plastic flow observed in this alloy is related to low values of the strain-rate sensitivity index (m) and the strain-hardening coefficient (γ), combined with the tendency of these parameters to decrease depending on true strain (ε). The reduction in m and γ values could be associated with the early onset of plastic instability and with microstructural changes observed as function of the strain. Grain growth induced by deformation seems to be important during the first stage of deformation of this alloy. However, when ε > 0.4 this growth is accompanied by other microstructural rearrangements. These results suggest that in this alloy, a grain boundary sliding mechanism acts to allow a steady superplastic flow only for ε < 0.4. For ε values between 0.4 and 0.7, observed occurrences of microstructural changes and severe neck formation lead to the supposition that there is a transition in the deformation mechanism. These changes are more evident when ε > 0.7 as another mechanism is thought to take over.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Determination of Johnson–Cook Plasticity Model Parameters for Inconel718

In order to simulate foreign object damage (FOD) phenomenon in aircraft high-pressure compressor blades made of a nickel-based super-alloy, Johnson–Cook (J–C) plasticity model was used. For prediction of material’s plastic behavior at temperature of 400 °C (working temperature of the blades) in the range of strain rates associated with the FOD phenomenon (in order of 10{sup 6} s{sup −1}), material parameters of A, B, C, n and m for the J–C plasticity model had to be determined experimentally. Parameters of A, B and n with values of 1108, 699 MPa and 0.5189, respectively, were obtained from quasi-static tensile tests. Moreover, m was determined to be 1.2861, also through quasi-static tensile tests with a strain rate of 1 s{sup −1} at three temperatures of 475, 550 and 625 °C. However, in order to determine C, firstly a steel ball was impacted on the surface of a flat specimen made of a precipitation-hardening alloy, and then, the impact site was 3D scanned to obtain the induced crater profile. Finally, the impact test (ballistic) was simulated using Abaqus, and a C value of 0.0085 was determined by comparing the actual crater profile with the one obtained from the simulation through a trial-and-error approach.

36 MATERIALS SCIENCE↗
DOE OSTI2018

On the Variation of Hardness Due to Uniaxial and Equi-Biaxial Residual Surface Stresses at Elastic–Plastic Indentation

It is established long since that the material hardness is independent of residual stresses at predominantly plastic deformation close to the contact region at indentation. Recently though, it has been shown that when elastic and plastic deformations are of equal magnitude this invariance is lost. For materials such as ceramics and polymers, this will complicate residual stress determination but can also, if properly understood, provide additional important information for performing such a task. Indeed, when the residual stresses are equi-biaxial, the situation is quite well understood, but additional efforts have to be made to understand the mechanical behavior in other loading states. Presently therefore, the variation of hardness, due to residual stresses, is examined at a uniaxial stress state. Correlation with global indentation quantities is analyzed, discussed and compared to corresponding equi-biaxial results. Cone indentation of elastic–perfectly plastic materials is considered.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Influence of Welding Combined Plastic Forming on Microstructure Stability and Mechanical Properties of Friction Stir-Welded Al-Cu Alloy

A new tailor-welded process, which combines stages of welding, plastic forming, and heat treatment strengthening, was developed to produce a friction stir-welded (FSW) Al-alloy joint. The Al-Cu sheets were FSW under different welding parameters and then were plastic-deformed. The microstructural evolution and mechanical properties of the FSW joint were investigated by scanning electron microscopy and tensile tests. It was found that high heat input during FSW and low solution temperature suppress the abnormal grain growth (AGG) of the joint due to the differential in grain size and grain boundary energy. The microstructure heterogeneity of the FSW joint is effectively improved, as no AGG occurs. The retention of fine equiaxed grains and the increase in the density of precipitates result in excellent mechanical properties. The increase in the strength and micro-hardness of the joint mainly depends on the plastic deformation prior to aging treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Evaluation of Plastic “Eta” Factor for Welds of SS316L(N) with High Strength Mismatch Ratio

Fracture testing standards of ASTM and ISO recommend expressions for plastic η factor of various fracture test specimen geometries to evaluate the fracture behavior of materials. These are intended for homogenous specimens, but according to ISO 15653, it can be extended for weldments up to a strength mismatch ratio (M) of 1.25. In practice, M > 1.25 is encountered in many applications. In the present study, η factor has been evaluated for welded compact tension specimens using a limit load-based approach. The η factors obtained using this approach for homogenous specimens with elastic–perfectly plastic material model are found to be within ± 4% of those from the ASTM E 1820-17a, thereby validating the procedure. For welds, the limit load is obtained from nonlinear (elastic–plastic) FE simulations. η factors for specimens with various crack lengths (a), weld width (h) and strength mismatch have been evaluated and found to be significantly influenced by these parameters. For M > 1.25, the estimated η values were found to be ~ 16% lower compared to that from the ASTM E 1820-17a. Thus, the use of the η values from the proposed method provides a conservative estimate of J–R curve for the welds. Further, it has been observed that depending on the slope of the blunting line, the J{sub Ic} value may vary significantly with the estimated η values.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simultaneous Optimization of Crystal Plasticity Hardening Parameters

Crystal plasticity models relate macroscopic deformation behavior to the evolution of slip systems strength, but their parameterization is often non-unique, with multiple parameter sets being able to describe the same macroscopic behavior. To address this issue, the present work adopts a Bayesian optimization framework for the parameterization of face-centered cubic plasticity models while simultaneously considering multiple experimental datasets from the literature. For single crystal Cu, parameter optimization was guided by the tensile stress–strain curves along several crystallographic orientations, with an adequate fit being found for five orientations at once. While additional parameters allowed for the consideration of more physical mechanisms, like different slip system interaction strengths or misorientations inherent to the experimental data, the extra dimensionality was found to limit the efficiency of the global minimization procedure. For polycrystalline Ni, multiple grain sizes were considered together in a representative polycrystalline model, with the optimization able to reconcile the model with the data for three grain sizes at once. As meaningful interpretation of parameters relies on the uniqueness of their values, incorporating multiple datasets into this discerning parameterization procedure enables more robust prediction and application of crystal plasticity models.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Thermal activation parameters of plastic flow reveal deformation mechanisms in the CrMnFeCoNi high-entropy alloy

To reveal the operating mechanisms of plastic deformation in an FCC high-entropy alloy, the activation volumes in CrMnFeCoNi have been measured as a function of plastic strain and temperature between 77 K and 423 K using repeated load relaxation experiments. At the yield stress, σ y , the activation volume varies from ~60 b3 at 77 K to ~360 b 3 at 293 K and scales inversely with yield stress. With increasing plastic strain, the activation volume decreases and the trends follow the Cottrell-Stokes law, according to which the inverse activation volume should increase linearly with σ - σ y (Haasen plot). This is consistent with the notion that hardening due to an increase in the density of forest dislocations is naturally associated with a decrease in the activation volume because the spacing between dislocations decreases. The values and trends in activation volume agree with theoretical predictions that treat the HEA as a high-concentration solid-solution-strengthened alloy. Lastly, these results demonstrate that this HEA deforms by the mechanisms typical of solute strengthening in FCC alloys, and thus indicate that the high compositional/structural complexity does not introduce any new intrinsic deformation mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Columnar Grain-driven Plasticity and Cracking in Nanotwinned FCC Metals

The mechanisms of strengthening and plasticity in columnar-grained metals with preferentially oriented nano-sized twins have been examined traditionally by considering dislocation processes, but rarely from the perspective of grain boundary (GB) deformation. Here, the effects of GB strain accommodation on plastic deformation in four different columnar-grained nanocrystalline nanotwinned (nt) face-centered-cubic metals (Cu, Ag, Al, and Ni) were studied by large-scale molecular dynamics simulations. It is observed that in tensile deformation parallel to coherent twin boundaries (CTBs), the dislocation mechanisms in each metal are identical and associated with GB emissions of jog and threading dislocations at small and large CTB spacings, respectively. However, CTB strengthening effects are increasingly more pronounced in columnar-grained nt metals as their shear modulus increases, which is rationalized by the dependence of GB stress concentrations on twin size, metal type and strain rate. Also, while flow stresses in nt-Cu, nt-Ag, and nt-Al metals increase linearly with decreasing CTB spacing, a maximum strength limit is reached in nt-Ni below a critical CTB spacing of 6 nm. The strength limit in nt-Ni results from columnar GB cracking induced by prominent GB sliding. For columnar-grained microstructures, GB sliding is equivalent in nt-Ag and nt-Al and slightly lower in nt-Cu but markedly higher in nt-Ni. These findings underscore the importance of new GB deformation mechanisms on plasticity and fracture in columnar-grained nt metals and enrich our understanding of CTB strengthening in fcc metals synthesized in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Crystal plasticity model of BCC metals from large-scale MD simulations

Accurate crystal plasticity models that faithfully capture the behavior of single crystals under a wide range of loading conditions, such as loading direction, strain rate, and temperature, are still lacking. Here we introduce a novel approach in which a crystal plasticity (CP) model is informed directly from and calibrated to large-scale quantum-accurate MD simulations in which single crystal BCC Ta serves as a testbed material. By analyzing our large set of MD simulations several key insights are obtained leading us to modify constitutive assumptions in order to address deficiencies of existing CP models. Importantly, we observe that the standard notion of fixed slip systems – pairs of slip directions and slip planes – is inadequate for describing high-rate plasticity in BCC tantalum at room temperature. Instead, pencil glide defined as dislocation motion in the maximum resolved shear stress planes (MRSSP) of each Burgers vector is fully consistent with our MD simulation data while providing significant simplifications of the constitutive relations. Herein, our resulting new CP model closely matches the behavior of single crystals observed in high-rate MD simulations while being fully consistent with lower rate experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Rules for the crystallite size and dislocation density evolution in phases during α-ω transformation in Zr under high-pressure and severe plastic flow

The first in-situ X-ray diffraction (XRD) study of the evolution of the crystallite size and dislocation density in phases during plastic strain-induced phase transformation (PT) is performed utilizing α-ω PT in strongly pre-deformed commercially pure Zr as an important example. Rough diamond anvils (rough-DA) are introduced to intensify all occurring processes during heterogeneous compression of Zr in a diamond anvil cell (DAC). The main rule is found that during α-ω PT the crystallite size and dislocation density in ω-Zr depend solely on the volume fraction of ω-Zr and are independent of pressure, plastic strain tensor, its path, and initial nanostructure. Crystallite size in ω-Zr increases from 10 to 60 nm during the PT, while dislocation density reduces from 1.83×10 15 /m 2 to 0.6×10 15 /m 2 . Rough-DA produce a steady nanostructure in α-Zr before PT with smaller crystallite size and larger dislocation density than smooth-DA, leading to a reduction of the minimum pressure for α-ω PT to a record value 0.67 GPa, 9 times smaller than under hydrostatic loading and 5.1 times lower than the phase equilibrium pressure. In addition to strain, the kinetics of strain-induced PT unexpectedly depends on time. Also, strain-controlled part of kinetics is zero order, in contrast to the first-order kinetics with smooth-DA. The obtained results open a new window for understanding the mutual effects of nanostructure evolution and PT during severe plastic flow in various technological and natural processes. In conclusion, they may bring up economic strategies of producing nanocomposites and single-phase nanostructured materials with optimal properties.

Crystalline size↗
DOE OSTI2022

Multiscale modeling of hydrogenolysis of ethane and propane on Ru(0001): Implications for plastics recycling

Plastic waste presents an environmental threat. Chemical recycling via hydrogenolysis can convert plastic waste into waxes, lubricants, and fuels. Among catalysts, Ru stands out for its superior activity and selectivity. The chemistry of light alkane hydrogenolysis can help understanding plastics deconstruction. Here, we perform first-principles calculations, develop descriptor-based relations, and conduct microkinetic modeling and analysis on ethane and propane. Predictions are in excellent agreement with experimental data. We identify a similar cracking pattern for both hydrocarbons entailing a deeply dehydrogenated species with the removal of four hydrogen atoms: CHCH*+* → 2CH* for ethane and CH 3 CCH*+2* → CH 3 C* + CH* for propane. We find that the rate-determining step is the C-C cracking for ethane and the first dehydrogenation from the terminal carbon (CH 3 CH 2 CH 3 *+* → CH 3 CH 2 CH 2 *+H*) for propane. The vinyl species CH 2 CH* produced from propane cracking is responsible for whether a single or multiple cracking events occur and effectively controls the selectivity. Specifically, ethane formation in propane hydrogenolysis is suppressed at elevated temperatures due to over-cracking via multiple (two here) cracking events being preferred over hydrogenation and desorption of ethane from the catalyst. Our workflow and models provide a baseline for future studies on heavier hydrocarbons. Insights into recent experimental studies of polyethylene over Ru-based catalysts are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Chromatin plasticity as a differentiation index during muscle differentiation of C2C12 myoblasts

Highlights: Black-Right-Pointing-Pointer Change in the epigenetic landscape during myogenesis was optically investigated. Black-Right-Pointing-Pointer Mobility of nuclear proteins was used to state the epigenetic status of the cell. Black-Right-Pointing-Pointer Mobility of nuclear proteins decreased as myogenesis progressed in C2C12. Black-Right-Pointing-Pointer Differentiation state diagram was developed using parameters obtained. -- Abstract: Skeletal muscle undergoes complicated differentiation steps that include cell-cycle arrest, cell fusion, and maturation, which are controlled through sequential expression of transcription factors. During muscle differentiation, remodeling of the epigenetic landscape is also known to take place on a large scale, determining cell fate. In an attempt to determine the extent of epigenetic remodeling during muscle differentiation, we characterized the plasticity of the chromatin structure using C2C12 myoblasts. Differentiation of C2C12 cells was induced by lowering the serum concentration after they had reached full confluence, resulting in the formation of multi-nucleated myotubes. Upon induction of differentiation, the nucleus size decreased whereas the aspect ratio increased, indicating the presence of force on the nucleus during differentiation. Movement of the nucleus was also suppressed when differentiation was induced, indicating that the plasticity of chromatin changed upon differentiation. To evaluate the histone dynamics during differentiation, FRAP experiment was performed, which showed an increase in the immobile fraction of histone proteins when differentiation was induced. To further evaluate the change in the histone dynamics during differentiation, FCS was performed, which showed a decrease in histone mobility on differentiation. We here show that the plasticity of chromatin decreases upon differentiation, which takes place in a stepwise manner, and that it can be used as an index for the differentiation stage during myogenesis using the state diagram developed with the parameters obtained in this study.

60 APPLIED LIFE SCIENCES↗