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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Structural, Elastic, and Electronic Properties of CeN and LuN Using: Ab Initio Study

We report on the electronic, structural, and elastic property calculations conducted for the rare-earth (RE) nitride compounds in the rocksalt structure (CeN and LuN compounds) using the full-potential linear muffin-tin orbital method (FP-LMTO) based on the spin density functional theory (DFT) calculations using the LSDA + U approach (local spin density approximation with Hubbard-U corrections). The LSDA + U approximation is applied to the 4f as well as 5d states. Various space groups were considered including the NaCl (Fm-3m (225)), the cesium chloride [CsCl(Pm-3m (221))], and the zinc blende [ZnS(F-43m 216))]. Our obtained results indicate that the NaCl-type structure is stable than all the other phases, while the predicted elastic constants were found to satisfy the mechanical stability. The related mechanical properties such as the anisotropy factor (A), Poisson’s ratio (υ), Young’s modulus (E), and the shear modulus (G) for the same NaCl structure were also calculated. Finally, the band structure calculations of the CeN and LuN have revealed half-metallic and semiconductor behaviour, respectively. The obtained results are presented and in-depth discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Insight into Phase Transition, Electronic, Magnetic, Mechanical, and Thermodynamic Properties of TbTe: a DFT Investigation

Theoretical investigation on TbTe for its structural, electronic, magnetic, and thermodynamic stuffs has been carried within density functional theory (DFT) as implemented in WIEN2K code. TbTe was found stable in ferromagnetic phase. The calculated ground-state parameters were found in a good agreement with the experimental data. The compound was found to have a structural stability in cubic B1 (NaCl-type structure) phase, but under the application of high pressure (at 27 GPa), it undergone to B2 (CsCl-type structure) phase of pressure. The second-order elastic constants and mechanical properties like Young’s modulus, Shear modulus, Poisson ratio, Cauchy pressure (C{sub 12}–C{sub 44}), and Pugh’s ratio (B/G) were calculated. The present calculations confirmed the ductile nature of TbTe. Further, the thermodynamic investigations have been carried using quasi-harmonic Debye approximation. We have calculated the pressure and temperature dependence of Debye temperature (𝜃{sub D}), bulk modulus (B), thermal expansion (α), heat capacities (C{sub V}), and entropy (S) in the temperature range of 0 to 1000 K and pressure range of 0 to 25 GPa.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Compatibility of mesophase pitch and linear low-density polyethylene for low-cost carbon fiber

Mesophase pitch and linear low-density polyethylene (LLDPE) were blended by shear mixing and extruded producing precursor fibers which were then converted to carbon fibers (CFs). LLDPE additives agglomerate within the isotropic spheres rather than uniformly dispersing throughout the entire matrix. The blends possess different thermal properties and precursor tensile properties evident by two-phase tensile stress nature not present in precursor fibers produced from pure pitch. The resultant CFs were oxidized at 280 °C for 4 h and carbonized at 1000 °C for 15 min. This process created pitch CFs with a tensile strength of 1.23 GPa and a Young’s modulus of 99 GPa. All CFs produced from blends of pitch and LLDPE possessed a tensile strength of 0.63 GPa and less. These CFs showed a microstructure slightly different from the pure pitch CFs with fractured CF cross sections revealing voids present in all blended CFs due to burnt off LLDPE stemming from carbonization. Further study into compatibilizers and new conversion processes is required to successfully blend LLDPE with mesophase pitch for the purpose of producing a new low-cost CF.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Tensile, Creep, and Fatigue Behaviors of 3D-Printed Acrylonitrile Butadiene Styrene

Acrylonitrile butadiene styrene (ABS) is a widely used thermoplastics in 3D printing. However, there is a lack of thorough investigation of the mechanical properties of 3D-printed ABS components, including orientation-dependent tensile strength and creep fatigue properties. In this work, a systematic characterization is conducted on the mechanical properties of 3D-printed ABS components. Specifically, the effect of printing orientation on the tensile and creep properties is investigated. The results show that, in tensile tests, the 0° printing orientation has the highest Young’s modulus of 1.81 GPa, and ultimate strength of 224 MPa. In the creep test, the 90° printing orientation has the lowest k value of 0.2 in the plastics creep model, suggesting 90° is the most creep resistant direction. In the fatigue test, the average cycle number under load of 30 N is 3796 cycles. The average cycle number decreases to 128 cycles when the load is 60 N. Using the Paris law, with an estimated crack size of 0.75 mm, and stress intensity factor is varied from 352 to 700 N√m, the derived fatigue crack growth rate is 0.0341 mm/cycle. This study provides important mechanical property data that is useful for applying 3D-printed ABS in engineering applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Adhesive and Cohesive Strength in FeB/Fe{sub 2}B Systems

In this work, FeB/Fe{sub 2}B systems were evaluated by the scratch test. The powder-pack boriding process was performed on the surface of AISI M2 steel. The mechanical parameters, such as yield stress and Young’s modulus of the boride layer, were obtained by the instrumented indentation technique. Residual stresses produced on the boride layer were estimated by using the x-ray diffraction (XRD) technique. The scratch test was performed in order to evaluate the cohesive/adhesive strength of the FeB/Fe{sub 2}B coating. In addition, a numerical evaluation of the scratch test on boride layers was performed by the finite element method. Maximum principal stresses were related to the failure mechanisms observed by the experimental scratch test. Shear stresses at the interfaces of the FeB/Fe{sub 2}B/substrate system were also evaluated. Finally, the results obtained provide essential information about the effect of the layer thickness, the residual stresses, and the resilience modulus on the cohesive/adhesive strength in FeB/Fe{sub 2}B systems.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Static and Dynamic Mechanical Properties of Graphene Oxide-Incorporated Woven Carbon Fiber/Epoxy Composite

This study investigates the synergistic effects of graphene oxide (GO) on the woven carbon fiber (CF)-reinforced epoxy composites. The GO nanofiller was incorporated into the epoxy resin with variations in the content, and the CF/epoxy composites were manufactured using a vacuum-assisted resin transfer molding process and then cured at 70 and 120 °C. An analysis of the mechanical properties of the GO (0.2 wt.%)/CF/epoxy composites showed an improvement in the tensile strength, Young’s modulus, toughness, flexural strength and flexural modulus by ~ 34, 20, 83, 55 and 31%, respectively, when compared to the CF/epoxy composite. The dynamic mechanical analysis of the composites exhibited an enhancement of ~ 56, 114 and 22% in the storage modulus, loss modulus and damping capacity (tanδ), respectively, at its glass transition temperature. The fiber–matrix interaction was studied using a Cole–Cole plot analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Tribological Performance of Duplex-Annealed Ti-6Al-2Sn-4Zr-2Mo Titanium Alloy at Elevated Temperatures Under Dry Sliding Condition

Ti-6Al-2Sn-4Zr-2Mo (Ti-6-2-4-2) is a typical near-α titanium alloy developed for high-temperature applications. It offers numerous enhanced properties like an outstanding strength-to-weight ratio, a low Young’s modulus and exceptional creep and corrosion resistance. On the other hand, titanium alloys are known for their weak resistance to wear. Ti-6-2-4-2 is mainly applied in aero engine component parts, which are exposed to temperatures up to 565 °C. Through an increasing demand on efficiency, engine components are exposed to higher combustion pressures and temperatures. Elevated temperature tribology tests were conducted on a pin-on-disk tribometer equipped with a heating chamber. The tests were carried out under dry conditions with a constant sliding distance of 600 m with a speed of 0.16 m/s at the ball point. The sliding partner was AISI E52100 steel ball with the hardness of 58HRC. The varied input variables are normal load and temperature. It can be concluded that the coefficient of friction (CoF) increases with increasing temperature, while the wear rate decreases to its minimum at 600 °C due to increasing adhesion and oxidation mechanisms. Wear track observations using a scanning electron microscope (SEM) including energy-dispersive x-ray spectroscopy (EDS) were used to determine the occurring wear mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Friction and Wear Properties of CrSiCN/SiC Tribopairs in Water Lubrication

CrSiCN coatings (3.4 at.% Si) were prepared on 316L stainless steels using unbalanced magnetron sputtering. According to the analysis results of x-ray diffractometer and x-ray photoelectrons spectroscopy, silicon in CrSiCN coatings mainly presented in the amorphous forms of a-SiN, a-SiCN and a-SiC. The hardness and Young’s modulus of CrSiN coatings were 19.4 ± 0.6 and 306.1 ± 5.9 GPa, respectively. In addition, the ball-on-disk sliding tests of CrSiCN/SiC tribopairs were performed in distilled water at varying velocities (0.1-0.5 m/s) and loads (2-12 N). The friction coefficient of tribopairs presented a decreasing trend with respect to velocity at low applied loads (≤ 4 N). To be specific, the low friction coefficient of 0.05-0.14 accompanied with polished wear scar was obtained at high velocities and low loads. Finally, the wear mechanism map of CrSiCN/SiC tribopairs was proposed based on a combination of friction coefficient, wear scar morphology and wear rates of tribopairs.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Air and Argon Sintering Atmospheres on Properties and Hydrothermal Aging Resistance of Y-TZP Ceramics

In this work, we investigated the role of sintering atmosphere and temperature on low-temperature degradation of 3 mol.% yttria tetragonal zirconia polycrystals ceramics. Green compacts were prepared by die-pressing followed by cold isostatic pressing at 200 MPa. The green bodies were sintered between the temperature range of 1250 and 1500 °C in air and argon gas atmosphere. Sintered samples were tested to determine bulk density, Young’s modulus, Vickers hardness and fracture toughness. The results revealed that the mechanical properties of air-sintered samples were better than that of argon-sintered samples sintered at 1400 °C and below while the argon sintering marginally improves the fracture toughness and hardness when sintered at 1450 °C and above. FESEM images showed that the tetragonal grain size was similar when sintered in argon atmosphere. However, regardless of sintering atmosphere, grain growth was inevitable as the sintering temperature was increased. Hydrothermal aging test in superheated steam was performed in an autoclave at temperature of 180 °C and 10 bar pressure up to 12 h. Effect of aging on tetragonal-to-monoclinic phase transformation was measured by using x-ray diffraction. The phase transformation was found to be strongly influenced by the sintering temperature and sintering atmosphere. The sample sintered at 1500 °C in argon atmosphere exhibited rapid phase transformation compared to air atmosphere, while the samples sintered at or below 1400 °C in argon showed no phase transformation after 12-h exposure in steam environment.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Corrosion-Resistant Hydrophobic Nanostructured Ni-Reduced Graphene Oxide Composite Coating with Improved Mechanical Properties

In the present work, corrosion-resistant and hydrophobic nickel-reduced graphene oxide (Ni-RGO) composite coating prepared by electroless deposition technique on mild steel (MS), without the use of toxic chemicals, is reported. The field emission scanning electron microscopy micrographs show a uniform composite coating of Ni-RGO with smaller grain size, whereas cuboidal and larger grains were observed in the case of Ni coating on MS. A reduction in crystallite size from 30 to 13 nm with the incorporation of RGO to the Ni matrix was estimated from XRD. The corrosion activity was investigated with potentiodynamic polarization and electrochemical impedance spectroscopy measurements. The surface of Ni-RGO composite coating remained intact, almost undamaged and showed a robust resistance to corrosion with an inhibition efficiency of about 95% in aggressive 3.5 wt.% NaCl solution. Nanoindentation test revealed that the hardness and Young’s modulus of Ni-RGO composite coating are increased by about 25 and 19%, respectively, as compared to Ni coating.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Tribological Behavior of Solid-State Processed Al-1100/GNP Surface Nanocomposites

Graphene nanoplatelets (GNPs) were infused onto aluminum alloy (Al-1100) surface by a solid-state processing technique to form surface nanocomposites which enrich the mechanical and tribological properties of the aluminum (Al) surface. Electrical resistance heating which locally softens the Al surface, followed by hot pressing, mechanically impregnates and embeds GNPs onto the Al substrate. It was observed that the GNPs mainly occupy the grain boundaries in the matrix during subsequent solidification which leads to strengthening of the matrix through various mechanisms. A detailed tribological study was carried out, and it was found that the wear rate and coefficient of friction decreases by > 85%. Least wear depth in nanoscratch testing was obtained at processing parameters 2200 A and 0.5 s, which could be identified as the optimum current/time combination. The microhardness and Young’s modulus results also show an improvement > 200%, corroborating the tribological studies.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Determination of Gray Cast Iron Age Strengthening by Nondestructive Methods: Effect of Alloying Elements

Gray cast iron age strengthening is a phenomenon known as a modification of the alloy’s structure by iron-nitride precipitation during few days after casting. It generates an evolution of cast iron mechanical properties as a gain of hardness and Young’s modulus. In a first time, this article presents the possibility to monitor the aging time and the intensity of age strengthening using two nondestructive methods: nonstandard Rockwell hardness and inert frequencies measurement. In a second time, the study shows the influence of the alloying elements on this phenomenon and particularly the influence of free nitrogen amount, which is a first-order parameter to control aging. Finally, a prediction model of the time and the intensity of age strengthening has been elaborated using the results of the two different monitoring described.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Increased AGE Cross-Linking Reduces the Mechanical Properties of Osteons

Abstract The osteon is the primary structural component of bone, contributing significantly to its unique toughness and strength. Despite extensive research on osteonal structure, the properties of osteons have not been fully investigated, particularly within the context of bone fragility diseases like type 2 diabetes mellitus (T2DM). This study aims to isolate osteons from bovine bone, simulate the effects of increased advanced glycation end-products (AGEs) in T2DM through ribosylation, and evaluate the mechanical properties of isolated osteons. Osteons extracted from the posterior section of bovine femur mid-diaphysis were processed to achieve a sub-millimeter scale for microscale imaging. Subsequently, synchrotron radiation micro-computed tomography was employed to precisely localize and isolate the osteon internally. While comparable elastic properties were observed between control and ribosylated osteons, the presence of AGEs led to decreased strain to failure. Young’s modulus was quantified (9.9 ± 4.9 GPa and 8.7 ± 3 GPa, respectively), aligning closely with existing literature. This study presents a novel method for the extraction and isolation of osteons from bone and shows the detrimental effect of AGEs at the osteonal level.

Materials Science↗
DOE OSTI2019

Force Sensing in Nanoscale: Integration of Virtual Spring for Sensing the Interactions of β-Amyloid Grabbed by Prefoldin

Analysis of atomic forces in molecular scale including the reciprocal internal force directions, quantity, and Young’s modulus, and more detailed analysis via diagrams, is one of the most current research topics. This research aims to analyze the bilateral forces applied between a nano-actuator and a cargo from a new perspective. While virtual springs have been used as a tool to convey forces in the previous steered molecular dynamics simulations, this study uses the spring as a sensor for measuring the internal forces. This study introduces atomic sensing via the steered molecular dynamics method. Following the previous studies, the protein employed in this study is the mutated Archetype Prefoldin being used to control the pathogenic cargo beta-amyloid (Alzheimer’s). The powerful Gromacs software carries out the simulations for the calculation of the total force and force for each branch. The simulation results illustrate the total force between the cargo and nano-actuator is ~ 2.8 nN, while each branch needs a force of ~ 1.2–1.5 nN to release the cargo. The results demonstrate the validity of the method and applicability of the virtual sensor for assessing the microscopic forces. This investigation is a pioneer study for the advent of the sensor as an assessment tool for the mechanical analysis and precise atomic force studies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Utilization of Hemp Processing Waste for 3D Printing of Biocomposites

Unlike stem biomass, the residues after the extraction of cannabidiol (CBD) oil from hemp flower are challenging to utilize because of their high extractive content (~ 40%, mainly lipids) and are typically considered waste and landfilled. This study presented a novel approach to effectively valorize this underutilized hemp processing waste via chemical processing for three-dimensional (3D) printing applications. Hemp processing waste was processed with sodium hydroxide (NaOH) to control extractives for solving nozzle clogging and then applied as a biofiller in polylactic acid (PLA) composites to improve the mechanical strength. The novelty of this work lies in demonstrating that controlled extractive removal via NaOH treatment not only improves processability but also enhances mechanical performance in 3D-printed biocomposites. We systematically investigated the effect of the processed biofiller content (2.5–10 wt%) on the mechanical and thermal properties of the biocomposites. The decrease in the content of extractives reduced the non-structural components and improved the surface compatibility of the hemp waste with the PLA matrix, thereby enhancing the polymer-biofiller interactions. The best performance was achieved at 2.5 wt% loading, where Young’s modulus increased from 2.3 GPa to 2.6 GPa and tensile strength from 42.7 MPa to 48.8 MPa. Interestingly, the complete removal of extractives also reduced the mechanical strength of their biocomposites, indicating the interfacial adhesion effects of extractives. Furthermore, this study provides new insights into balancing extractive content for optimal mechanical properties, offering a sustainable solution for waste valorization in additive manufacturing.

Additive manufacturing↗
DOE OSTI2023

Molecular Dynamics Simulation of Hygroscopic Aging Effects in Epoxy Polymer

The automobile industry is incorporating more lightweight content in car designs to boost fuel-economy. New structural adhesives are needed to mitigate the corrosion and thermal expansion issues associated with joining dissimilar lightweight materials, but adhesive developers lack a fundamental understanding of the chemistry that occurs in the adhesive as the joint ages. In this study, we developed structural adhesive molecular models and applied classical molecular dynamics simulations and density functional theory calculations to gain molecular insights into the influence of water molecules on the properties of epoxy-based adhesives (DGEBA + Jeffamine (JD230)). The simulations were complemented by experimental synthesis and characterization. Our work underscores the impact of water molecules on the local structure of the epoxy network as well as resulting mechanical properties. Water molecules were mainly coordinated with hydroxyls, primary amines and secondary amines, but also weakly coordinated with ether linkages, which were found most probable to be labile. Simulated stress–strain data indicates that increasing the water content deteriorates the mechanical properties. The Young’s modulus decreased by ~ 30% when the water content increased to 3 wt%. We conclude, this integration of molecular-level chemical insights with mechanical property simulations of the hydrated epoxy system and experimental validation holds the promise to advance lightweight joint technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Investigation on Vibration Response of Aluminum Foam Beams Using Speckle Interferometry

This paper firstly presents a brief review on the representations of speckle fringe pattern in vibration measurement using time-averaged electronic speckle pattern interference (ESPI) method. Based on laser phase noise, a new representation of speckle fringe intensity generated by real-time subtraction ESPI method for vibrating measurement is then proposed. In the experimental performance, the real-time subtraction ESPI method is employed to inspect the vibrating response of a closed-cell aluminum foam cantilever beam. In contract with the results of the finite elemental method simulation, the vibration mode shapes obtained by the ESPI method are well agreed with numerical prediction. The optical vibration analysis is also carried out to determine the effective Young’s modulus of aluminum foam, and the results verify the validation of the ESPI method for investigation on mechanical properties of metal foam materials.

36 MATERIALS SCIENCE↗