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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Harnessing Machine Learning to Predict MoS 2 Solid Lubricant Performance

Physical vapor deposited (PVD) molybdenum disulfide (MoS 2 ) solid lubricant coatings are an exemplar material system for machine learning methods due to small changes in process variables often causing large variations in microstructure and mechanical/tribological properties. Here, in this work, a gradient boosted regression tree machine learning method is applied to an existing experimental data set containing process, microstructure, and property information to create deeper insights into the process-structure–property relationships for molybdenum disulfide (MoS 2 ) solid lubricant coatings. The optimized and cross-validated models show good predictive capabilities for density, reduced modulus, hardness, wear rate, and initial coefficients of friction. The contribution of individual deposition variables (i.e., argon pressure, deposition power, target conditioning) on coating properties is highlighted through feature importance. The process-property relationships established herein show linear and non-linear relationships and highlight the influence of uncontrolled deposition variables (i.e., target conditioning) on the tribological performance.

MoS2↗
DOE OSTI2018

Tribological Performance of Ni{sub 3}Al Matrix Composites Synthesized by Laser Melt Deposition Under Different Scanning Velocities

In order to study the effect of scanning velocity on the microstructure and tribological properties of Ni{sub 3}Al matrix composites containing graphene nanoplatelets (NGs), a series of NG samples are successfully synthesized by laser melt deposition under the various scanning velocities from 300 to 500 mm s{sup −1}. The sliding friction tests of NG against GCr15 steel balls are carried out under 10 N and 0.2 m s{sup −1} at room temperature. The microstructures, tribological properties and wear mechanisms of the NG samples are analyzed. The results show that the scanning velocity can be optimized to effectively control the surface hardness and relative density, as well as tribological performance of NG. The NG sample synthesized under scanning velocity of 450 mm s{sup −1} has a dense and fine microstructure as well as excellent properties such as higher relative density (98.6%), lower friction coefficient (0.23) and wear rate (5.5 × 10{sup −6} mm{sup 3} N{sup −1} m{sup −1}). The lower substrate layer with dense and stable structure plays an important role in supporting the upper glaze layer with rich graphene and oxides, as well as nanocrystalline structure, which contributes to the excellent friction-reducing and wear resistance performances of NG. The research results could be used to guide the selection of suitable scanning velocity and study the wear mechanisms of NG for having excellent tribological performance.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Microstructural Characterization of the Second High Fluence Baffle-Former Bolt Retrieved from a Westinghouse Two-loop Downflow Type PWR

As one of the pressurized water reactor (PWR) internal components, baffle-former bolts (BFBs) are subjected to significant mechanical stress and neutron irradiation from the reactor core during the plant operation. Over the long operation period, these conditions lead to potential degradation and reduced load-carrying capacity of the bolts. In support of evaluating long-term operational performance of materials used in core internal components, the Oak Ridge National Laboratory (ORNL), through the Department of Energy (DOE), Light Water Reactor Sustainability (LWRS) Program, Materials Research Pathway (MRP) has harvested two high fluence BFBs from a commercial Westinghouse two-loop downflow type PWR. The two bolts of interest, i.e. bolts # 4412 and 4416, were withdrawn from service in 2011 as part of a preventative replacement plan. No identification of cracking or potential damage was found for these bolts during their removal in 2011. However, the bolts required a lower torque for removal from the baffle structure than the original torque specified during installation. Irradiation displacement damage levels in the bolts range from 15 to 41 displacements per atom. The goal of this project is to perform detailed microstructural and mechanical property characterization of BFBs following in-service exposures. The information from these bolts will be integral to the LWRS program initiatives in evaluating end of life microstructure and properties. Furthermore, valuable data will be obtained that can be incorporated into model predictions of long-term irradiation behavior and compared to results obtained in high flux experimental reactor conditions. In this report, we present our latest study in FY22 on microstructural characterizations of the second high fluence baffle-former bolt, i.e., bolt # 4412. Analytical electron microscopy and atom probe tomography characterization were performed. The radiation-induced defects in the material add to the large wealth of knowledge for neutron-induced defects in 304/316 grades of stainless steels, specifically for radiation-induced precipitation after high fluence commercial PWR irradiation. The main findings are summarized as follows: 1) The cavity size was considerably larger in the bolt thread section than in the bolt head, with the bolt thread section having a bimodal distribution of cavities greater than ~6 nm in diameter and less than ~3 nm in diameter. The bolt head only had the small-sized cavities. In addition, there was a denuded zone of large cavities near grain boundaries in the thread section of the bolt. 2) Radiation-induced precipitation in the BFB #4412 was highly complex, with the volume fraction, size, and number density of Ni/Si and Cu-rich precipitates depending strongly on the radiation temperature/dose. In many cases, co-precipitates of adjoined clusters were found with Ni/Si-rich precipitates sandwiched between Cu-rich clusters and Mo/Cr/P-rich clusters. 3) Solute segregation out of solution was highest for most solutes in the thread section of the bolt #4412 with the exception of Cu, which experienced more separation out of solution into Curich clusters in the bolt head section. This highlights the difference in the mechanisms for precipitation of Ni/Si clusters, which have the Ni 3 Si phase composition, and precipitation of Cu-rich clusters. 4) There appear to be multiple simultaneous influences that affect the microstructural variation along the length of the bolt that overcomes the ~2X difference in irradiation dose between the bolt head and the bolt thread. The irradiation temperature, thermal/fast neutron ratio variation, potential strain gradient, and exposure to PWR coolant water that each section of the bolt sees may have more influence on the microstructural evolution than the total irradiation dose. The bolt thread and shank, with higher temperature, higher relative fast neutron flux, higher strain, and exposure to coolant but lower dose, underwent more enhanced cavity formation, precipitation, and solute segregation than the bolt head section.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Mechanical Properties and Interface Evaluation of Al/AZ31 Multilayer Composites Produced by ARB at Different Rolling Temperatures

Many researchers have studied the microstructure and mechanical properties of Al/Mg composites rolled at a unique temperature; however, the effect of rolling temperature, which is one of the more decisive accumulative roll bonding (ARB) parameters, has not been investigated. In this work, laminated Al/Mg composites were fabricated by ARB at different temperatures using AZ31 magnesium alloy and commercially pure aluminum sheets. The microstructure of the layers and the mechanical properties of the rolled Al/AZ31 composites were investigated. Tensile and bending properties of the multilayer materials were examined by tensile and three-point bending tests. The results showed that mechanical bonding of the layers was improved with increasing rolling temperature. As a result, the intermediate rolling temperature (300 °C) indicated the best mechanical properties. Moreover, hot rolling caused an accelerated formation of intermetallic compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Rational Design of Capacitive Pressure Sensors Based on Pyramidal Microstructures for Specialized Monitoring of Biosignals

Abstract There is an increasing demand for specialized pressure sensors in various applications. Previously, capacitive pressure sensors have been shown to have wide versatility in use, with a high degree of potential tuning possible through manipulating the geometry or material selection of the dielectric layer. However, in order to make sensors that are tunable and predictable, the design and fabrication method first needs to be developed. Presented here is an improved fabrication method to achieve tunable, consistent, and reproducible pressure sensors by using a pyramid microstructured dielectric layer along with a lamination layer. The as‐produced sensor performance is able to match predicted trends. Further, a simple model based on this system is developed and its efficacy is experimentally confirmed. Then, the model to predict a wide range of material and microstructure geometric properties prior to device fabrication is used to provide trends on sensor performance. Finally, it is demonstrated that the new method can be used to targetedly design a pressure sensor for a specific application—in vitro pulse sensing.

Ruth, Sara Rachel Arussy↗
DOE OSTI2024

The Role of Side Chains and Hydration on Mixed Charge Transport in n ‐Type Polymer Films

Abstract Introducing ethylene glycol (EG) side chains to a conjugated polymer backbone is a well‐established synthetic strategy for designing organic mixed ion‐electron conductors (OMIECs). However, the impact that film swelling has on mixed conduction properties has yet to be scoped, particularly for electron‐transporting (n‐type) OMIECs. Here, the authors investigate the effect of the length of branched EG chains on mixed charge transport ofn‐type OMIECs based on a naphthalene‐1,4,5,8‐tetracarboxylic‐diimide‐bithiophene backbone. Atomic force microscopy (AFM), grazing‐incidence wide‐angle X‐ray scattering (GIWAXS), and scanning tunneling microscopy (STM) are used to establish the similarities between the common‐backbone films in dry conditions. Electrochemical quartz crystal microbalance with dissipation monitoring (EQCM‐D) and in situ GIWAXS measurements reveal stark changes in film swelling properties and microstructure during electrochemical doping, depending on the side chain length. It is found that even in the loss of the crystallite content upon contact with the aqueous electrolyte, the films can effectively transport charges and that it is rather the high water content that harms the electronic interconnectivity within the OMIEC films. These results highlight the importance of controlling water uptake in the films to impede charge transport inn‐type electrochemical devices.

Chemistry↗
DOE OSTI2022

Insights into the Effect of Heat Treatment and Carbon Coating on the Electrochemical Behaviors of SiO Anodes for Li-Ion Batteries

The use of SiO as an anode material has attracted significant interest due to its high capacity and long cycling life. Many promising approaches, including structural design and carbon coating at high temperatures, effectively improve its intrinsic low electrical conductivity and poor Coulombic efficiency. However, the “heat treatment process-composition and microstructure-electrochemical properties” relationship of the SiO anode is not fundamentally understood. Here the structure and composition evolution in amorphous SiO and graphene-coated SiO is investigated using different heat-treatment conditions. X-ray absorption near-edge structure techniques are also employed to analyze the surface and bulk composition change during the initial lithiation process, supplemented by physical or chemical characterization and electrochemical testing. Here results reveal the structural transition of SiO during heat treatment, from amorphous to disproportionated hierarchical structure, where the as-formed dielectric exterior SiO 2 shell and interior SiO 2 matrix severely polarizes electrodes, hindering the lithiation process. Carbon coating on SiO effectively restricts the growth of the SiO 2 shell and facilitates charge transfer, leading to improved electrochemical performance. A schematic model is proposed to reveal the relationship between the treatments, the resultant structural evolutions, and corresponding electrochemical behaviors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding the local structure of disordered carbons from cellulose and lignin

An electron microscopy investigation was performed to understand the relationship between the microstructure and properties of carbonized cellulose and lignin (softwood kraft lignin) relative to the structure of the original biomass components. Structure details at micro- and molecular levels were investigated by scanning transmission electron microscopy. Atomic-resolution images revealed the presence of random disordered carbon in carbonized cellulose (C-CNC) and of large domains of well-ordered carbon with graphite sheet structure in carbonized lignin (C-Lignin). These structural differences explain why C-CNC exhibits higher surface area and porosity than C-Lignin. The presence of certain well-ordered carbon in carbonized lignin indicates some of the carbon in lignin are graphitized with heat treatment temperature up to 950 °C. This result is encouraging for future endeavors of attaining acceptable modulus of carbon fiber from lignin given suitable modifications to the chemistry and structure of lignin. The results of this research contribute to an improved understanding of the carbonization mechanism of the key cellulose and lignin components of biomass materials.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Effect of Zn, Ga and Gd Doping on Structural and Magnetic Properties of Nanonickel Ferrite Prepared by Two Different Methods

Zn/Ga/Gd-substituted NiFe{sub 2}O{sub 4} was formed by solid state reaction and citrate methods. The influence of substitutions on phase formation, the strain, crystallize size, cations distribution and magnetic properties have been examined by X-ray diffraction, Mössbauer effect spectrometer, Fourier-transform infrared, and vibrating sample magnetometer. Zn/Ga/Gd substituted NiFe{sub 2}O{sub 4} samples prepared by solid state method showed that as gadolinium introduced into the system, a second phase was formed with a small percentage while samples prepared by citrate method exhibited a single phase. The distributions of different cations between different sites were determined by both Mössbauer effect spectroscopy, modified Bertaut and Rietveld analysis. Mössbauer technique at room temperature showed that samples synthesized by the ceramic method have a magnetic order while samples prepared by citrate method have a superparamagnetic nature. The canting angle between magnetic ions was increased by increased the amount of Zn in samples prepared by both methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Phase Selection During Solidification and Solid-State Phase Transformations in an Al-10Ce-8Mn (wt pct) Alloy

In multicomponent Al-Ce alloys, and especially after additive manufacturing (AM), complex and metastable solidification microstructures are frequently observed. Here, in this research, the relationship between solidification conditions and phase selection are explored for an Al-10Ce-8Mn (wt pct) alloy using a systematic study of laser melting conditions. Three solidification modes were observed: primary Al 10 Mn 2 Ce; primary Al 20 Mn 2 Ce; and eutectic FCC Al + Al 20 Mn 2 Ce. These solidification modes were correlated to specific liquid-solid interface velocities using a simple thermal model, showing the change in primary solidification phase for low (< 6.8 × 10 −4 m/s), moderate (between 8.2 × 10 −4 and 5.9 × 10 −2 m/s) and high solidification velocities (> 6.2 x 10 −2 m/s) for the above three solidification microstructures, respectively. These results were rationalized by using interface response function (IRF) theory to describe the solidification undercooling for the possible primary intermetallic phases. The implication of the local phase selection from differing solidification conditions is summarized by a comparison of hardness which demonstrates the potential variance of Vickers hardness from 101 to 242 (VHV) by changing the laser velocity from 1 to 83 mm/s. Interestingly, on heat treatment at 400°C, the decomposition pathways of the solidification microstructure and hardness were also found to be different, thereby opening multiple pathways for spatial microstructure and property control within AM components.

Sisco, Kevin↗
DOE OSTI2018

The Influence of Alternating Low-Cycle Bending Loads on Sheet Properties Having an Hcp Crystal Lattice

The process of cyclic bending was investigated using thin sheets of the magnesium alloy AZ31 and α-titanium. These materials possess an hcp crystal lattice with different c/a ratios. It turned out that the latter have a substantial influence on the sheet deformation behavior. Even for small deformations (up to 2% strain), a large influence on the yield stress was present for both materials. In addition, cyclic bending contributes to the activation of prismatic slip, which is accompanied by twinning and detwinning. The changes in sheet anisotropy following cyclic bending were determined using texture measurements. Specifically, the AZ31 alloy sheets exhibited a considerable change in anisotropy of the mechanical properties with an increasing number of bending cycles. The anisotropy in the yield stress increases from 15% in the initial condition to 40% after three cycles. For the α-titanium sheet, the change in anisotropy was approx. 26% less. In general, the largest changes in properties occurred already in the first bending cycle and a stabilization took place upon further cycling.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Evaluations of Silica Aerogel-Based Flexible Blanket as Passive Thermal Control Element for Spacecraft Applications

The feasibility of utilizing commercially available silica aerogel-based flexible composite blankets as passive thermal control element in applications such as extraterrestrial environments is investigated. Differential scanning calorimetry showed that aerogel blanket was thermally stable over – 150 to 126 °C. The outgassing behavior, e.g., total mass loss, collected volatile condensable materials, water vapor regained and recovered mass loss, was within acceptable range recommended for the space applications. ASTM tension and tear tests confirmed the material’s mechanical integrity. The thermo-optical properties remained nearly unaltered in simulated space environmental tests such as relative humidity, thermal cycling and thermo-vacuum tests and confirmed the space worthiness of the aerogel. Aluminized Kapton stitched or anchored to the blanket could be used to control the optical transparency of the aerogel. These outcomes highlight the potential of commercial aerogel composite blankets as passive thermal control element in spacecraft. Structural and chemical characterization of the material was also done using scanning electron microscopy, Fourier transform infrared spectroscopy and x-ray photoelectron spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Corrosion Behavior of Wire Electrical Discharge Machined Surfaces of P91 Steel

The extensive usage of P91 steel in certain reactor components requires its precision fabrication by wire electrical discharge machining (WEDM). The WEDM cut surfaces consist of primarily re-melted and solidified layer (recast layer) of 2-8 µm. The recast layer is a result of fast removal of heat by unaffected metallic substrate and dielectric medium leading to rapid cooling. The WEDM surface is expected to affect the component performance in terms of its corrosion properties. The microstructural changes taking place due to EDM cutting of P91 steel bring about a drastic change in the electrochemical response of surface as compared to that for bulk P91 steel. The surface microstructure is shown to alter the passivation behavior and resistance to localized corrosion. Electrochemical polarization studies were done to evaluate passivation, pitting and intergranular corrosion (IGC) behavior and field emission gun—scanning electron microscopy was used for microstructural characterization of P91 steel surfaces. The passivation behavior for P91 steel WEDM cut surfaces was better than that for diamond polished surface. But pitting corrosion resistance decreased for the P91 steel WEDM surface which is a result of inhomogeneities in the microstructure of recast layer. The IGC resistance though increased due to the decreased grain size in the surface layer.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Deformation Behavior of AM30 Magnesium Alloy

In this study, deformation behavior of AM30 magnesium alloy is investigated in the hot working regime and empirical relations are developed. Compression tests were performed in the 0.001-10 s{sup −1} strain rate range and 423-623 K temperature range to obtain the mechanical properties. The compression curves were fitted using two approaches, viz. piecewise linear fitting and a Johnson–Cook type relation. Piecewise linear fit is found to be appropriate for describing the mechanical behavior in the dynamic recrystallization (DRX) regime as compared to the proposed Johnson–Cook type relation. The Johnson–Cook type model is not able to capture the essential feature of DRX, particularly at high strain rates.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Oxygen Content on Wear and Cutting Performance of AlCrON Coatings

In this work, AlCrON coatings with various oxygen contents were deposited by multi-arc-ion plating technology. The effects of oxygen content on the microstructure, mechanical properties, wear and cutting performance of AlCrON coatings were investigated. The result showed that the O contents in the AlCrON coatings increased from 0 to 8.8 wt.% by changing the O{sub 2}/N{sub 2} flow ratios during the deposition process. The AlCrON coatings mainly included fcc-CrN and fcc-AlN phases, and the Al{sub 2}O{sub 3} and Cr{sub 2}O{sub 3} were also confirmed by the XPS results. Addition of oxygen improved the adhesion strength of AlCrON coatings. The AlCrON coating with 4.0 wt.% oxygen content showed the low surface roughness, low friction coefficient and the minimum wear rate. Cutting results also showed that addition of oxygen improved the service life of AlCrON coatings under various cutting conditions. The service life of AlCrON coatings increased firstly and then decreased with increasing oxygen contents, and the AlCrON coating with 4.0 wt.% oxygen content had the maximum cutting length under various cutting conditions, which might be due to the decrease of surface roughness, increase of adhesion strength and hardness. The wear mechanism involved in cutting process included abrasive wear, adhesive wear and oxidation wear.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effects of the Addition of Micro-amounts of Calcium on the Corrosion Resistance of Mg-0.1Mn-1.0Zn-xCa Biomaterials

Magnesium alloys have good biocompatibility and degradability, which are considered ideal characteristics of biomedical implants. However, there are few studies on the influence of the addition of micro-amounts of Ca on magnesium alloys. In this work, the effects of adding micro-amounts of Ca on the microstructure, mechanical properties, and corrosion properties of Mg-0.1Mn-1.0Zn-xCa (x = 0.1, 0.2, and 0.3 wt.%) alloys were investigated. The results reveal that the grain size of the alloy decreased and the yield strength and elongation both increased with increasing Ca concentrations. Corrosion tests in Kokubo simulated body fluid showed that the in vitro immersion rate first slowed down and then increased (6.395 → 6.283 → 6.395 mm/year) with increasing Ca concentrations. This phenomenon was due to the addition of Ca causing grain refinement, which slowed the corrosion rate and generated an Mg{sub 2}Ca phase to accelerate corrosion. The second-phase Mg{sub 2}Ca precipitated at the grain boundary and acted as a cathode, and the metal magnesium phase acted as an anode to form a primary battery, which caused corrosion of the magnesium phase and accelerated the corrosion rate.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Nickel-Coated Super-Aligned Carbon Nanotube Reinforced Copper Composite for Improved Strength and Conductivity

Nickel (Ni)-coated super-aligned carbon nanotube (SACNT) films-reinforced copper (Cu) matrix composites were fabricated by electrodeposition. The microstructure, mechanical property and electrical conductivity of the prepared composites have been studied systematically. The results show that the mechanical properties of SACNT/Cu were significantly improved by coating SACNT with Ni. When the volume fraction of SACNT is 10.0%, the tensile strength and yield strength of the composite can reach 477.8 and 295.5 MPa, respectively, corresponding to 147 and 170% improvement compared to pure Cu prepared by the same method. Meanwhile, due to the super-aligned arrangement of SACNTs and the homogeneous distribution of Ni, which is not mixing or dissolving with Cu, the conductivities of all the Ni-coated SACNT-reinforced Cu composites are above 58% IACS, which is about 4 times higher than the results in previous research. The enhancement of the strength of the SACNT/Cu composites comes from the combined contribution of load transfer and grain refinement strengthening.

36 MATERIALS SCIENCE↗