Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “functionally graded material”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Health-Related Quality of Life After Single-Fraction High-Dose-Rate Brachytherapy and Hypofractionated External Beam Radiotherapy for Prostate Cancer

Purpose: To investigate the change in health-related quality of life for men after high-dose-rate brachytherapy and external beam radiotherapy for prostate cancer and the factors associated with this change. Methods and Materials: Eligible patients had clinically localized intermediate-risk prostate cancer. The patients received high-dose-rate brachytherapy as a single 15-Gy implant, followed by external beam radiotherapy to 37.5 Gy in 15 fractions. The patients were monitored prospectively for toxicity (Common Terminology Criteria for Adverse Events, version 3.0) and health-related quality of life (Expanded Prostate Cancer Index Composite [EPIC]). The proportion of patients developing a clinically significant difference in the EPIC domain score (minimally important difference of >0.5 standard deviation) was determined and correlated with the baseline clinical and dosimetric factors. The study accrued 125 patients, with a median follow-up of 24 months. Results: By 24 months, 23% had Grade 2 urinary toxicity and only 5% had Grade 2 bowel toxicity, with no Grade 3 toxicity. The proportion of patients reporting a significant decrease in EPIC urinary, bowel, sexual, and hormonal domain scores was 53%, 51%, 45%, and 40% at 12 months and 57%, 65%, 51%, and 30% at 24 months, respectively. The proportion with a >1 standard deviation decrease in the EPIC urinary, bowel, sexual, and hormonal domain scores was 38%, 36%, 24%, and 20% at 12 months and 46%, 48%, 19%, and 8% at 24 months, respectively. On multivariate analysis, the dose to 10% of the urethra was associated with a decreasing EPIC urinary domain score (p = .0089) and, less strongly (p = .0312) with a decreasing hormonal domain score. No association was found between the prostate volume, bladder dose, or high-dose volume and urinary health-related quality of life. A high baseline International Index of Erectile Function score was associated (p = .0019) with a decreasing sexual domain score. The optimal maximal dose to 10% of the urethra cutpoint for urinary health-related quality of life was 120% of the prescription dose. Conclusion: EPIC was a more sensitive tool for detecting the effects on function and bother than were the generic toxicity scales. The urethral dose had the strongest association with a deteriorating urinary quality of life.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2011

Measuring Cellular-scale Nutrient Distribution in Algal Biofilms with Synchrotron Confocal Infrared Microspectroscopy

The microscope and infrared spectrometer are two of the most useful tools for the study of biological materials, and their combined analytical power far exceeds the sum of the two. Performing molecular spectroscopy through a microscope superimposes chemical information onto the physical microstructure obtained from the optical microscope when visible and infrared information are collected under the same conditions. The instrument developments that enable current infrared microspectroscopic studies began with the introduction of the first research-grade infrared microscope, patented in 1989 (1). By 1993, published reports using this method to determine macroalgae (seaweed) cell-wall composition appeared (2-4). Since these initial reports, the use of infrared microspectroscopy (IMS) in microalgal (single cells or groups of cells) research has grown. Primarily, cultured algae have been used to hone IMS methodology and evaluate its capabilities in algal research (5-8). Studies involving natural, mixed species assemblages, which can utilize the spatial resolution potential of this technique fully are rare (9-11). For instance, in a recent review of IMS microalgal ecological research (12), only 3 of the 29 peer-reviewed publications investigated natural algal assemblages. Both thermal and synchrotron infrared sources provide a resolution capable of measuring individual algae in mixed species assemblages, and each has its advantages. For example, thermal source IMS is more accessible, allowing more samples to be analyzed than synchrotron IMS. However, synchrotron IMS with confocal masking provides superior resolution, which can be critical in isolating small or contiguous cells. Algal ecology is the study of the interaction between algae and their environment. Infrared microspectroscopy addresses a major logistical problem in this field, obtaining species-specific cellular biochemical information from natural, mixed-species assemblages (11,12). Benthic (bottom-dwelling) algae, for example, grow in a three-dimensional matrix (biofilm) composed of different cell sizes, shapes, and configurations. The optical and ecological challenge of studying algae is apparent from Figure 1, which shows a photomicrograph of algal chlorophyll fluorescence on a rock. Several issues make it difficult to obtain single species measurements with standard techniques: cell sizes can vary over an order of magnitude; species can occur as single cells, long filaments, or globular colonies; a number of different species can be found within a few square millimeters; and fluorescence can vary across cells (that is, the physiological state varies across cells). Synchrotron IMS is a tool that can be used to begin to overcome these spatially related challenges by giving a species- and location-specific measurement of an individual alga's relative chemical composition and distribution. This technique enables algal ecologists to focus on new, ecologically relevant questions such as what level (that is, cell, colony, and population) best defines a species' response to environmental change. For instance, many species occur as single cells and thus can be measured as individual organisms. However, the variety of growth forms and sizes can make it difficult to define the best unit to measure multicellular groups in terms of its functional role such as primary productivity (that is, carbon incorporation) and nutrient cycling. Understanding how individual algal species within a diverse community respond to environmental changes can help predict how changes in assemblage structure will impact overall assemblage function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Preparation of High Purity, High Molecular-Weight Chitin from Ionic Liquids for Use as an Adsorbate for the Extraction of Uranium from Seawater

Ensuring a domestic supply of uranium is a key issue facing the wider implementation of nuclear power. Uranium is mostly mined in Kazakhstan, Australia, and Canada, and there are few high-grade uranium reserves left worldwide. Therefore, one of the most appealing potential sources of uranium is the vast quantity dissolved in the oceans (estimated to be 4.4 billion tons worldwide). There have been research efforts centered on finding a means to extract uranium from seawater for decades, but so far none have resulted in an economically viable product, due in part to the fact that the materials that have been successfully demonstrated to date are too costly (in terms of money and energy) to produce on the necessary scale. Ionic Liquids (salts which melt below 100{degrees}C) can completely dissolve raw crustacean shells, leading to recovery of a high purity, high molecular weight chitin powder and to fibers and films which can be spun directly from the extract solution suggesting that continuous processing might be feasible. The work proposed here will utilize the unprecedented control this makes possible over the chitin fiber a) to prepare electrospun nanofibers of very high surface area and in specific architectures, b) to modify the fiber surfaces chemically with selective extractant capacity, and c) to demonstrate their utility in the direct extraction and recovery of uranium from seawater. This approach will 1) provide direct extraction of chitin from shellfish waste thus saving energy over the current industrial process for obtaining chitin; 2) allow continuous processing of nanofibers for very high surface area fibers in an economical operation; 3) provide a unique high molecular weight chitin not available from the current industrial process, leading to stronger, more durable fibers; and 4) allow easy chemical modification of the large surface areas of the fibers for appending uranyl selective functionality providing selectivity and ease of stripping. The resulting sorbent should prove economically feasible, as well as providing an overall net energy gain.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Evolution of AlGaN deep level defects as a function of alloying and compositional grading and resultant impact on electrical conductivity

AlGaN:Si epilayers with uniform Al compositions of 60%, 70%, 80%, and 90% were grown by metal-organic vapor phase epitaxy along with a compositionally graded, unintentionally doped (UID) AlGaN epilayer with the Al composition varying linearly between 80% and 100%. The resistivity of AlGaN:Si with a uniform composition increased significantly for the Al content of 80% and greater, whereas the graded UID-AlGaN film exhibited resistivity equivalent to 60% and 70% AlGaN:Si owing to polarization-induced doping. Deep level defect studies of both types of AlGaN epilayers were performed to determine why the electronic properties of uniform-composition AlGaN:Si degraded with increased Al content, while the electronic properties of graded UID-AlGaN did not. The deep level density of uniform-composition AlGaN:Si increased monotonically and significantly with the Al mole fraction. Conversely, graded-UID AlGaN had the lowest deep level density of all the epilayers despite containing the highest Al composition. These findings indicate that Si doping is an impetus for point defect incorporation in AlGaN that becomes stronger with the increasing Al content. However, the increase in deep level density with the Al content in uniform-composition AlGaN:Si was small compared to the increase in resistivity. This implies that the primary cause for increasing resistivity in AlGaN:Si with the increasing Al mole fraction is not compensation by deep levels but rather increasing activation energy for the Si dopant. As a result, the graded UID-AlGaN films maintained low resistivity because they do not rely on thermal ionization of Si dopants.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Polyacrylonitrile nanocomposite fibers from acrylonitrile-grafted carbon nanofibers

For the first time, uniform distribution of surface functionalized carbon nanofibers (CNFs) has been achieved in low molecular weight (≈120,000 g/mol) textile grade-polyacrylonitrile (PAN)-based composite filaments. Furthermore, surface grafting of CNFs with acrylonitrile enhances the dispersion of nanofibers in PAN fiber matrix. XPS study reveals high atomic nitrogen content (7%) on the CNF surface due to the grafting reaction. The solution-spun filaments have been characterized for distribution of CNFs in the PAN matrix by electron microscopy. PAN composite filaments containing 3.2 wt.% CNF and processed at draw ratio of ≈6.3 exhibit enhanced tensile strength and modulus by more than three folds compared to the control PAN filament. Because of chemically compatible surface modification of the nanofibers, better dispersion and improved mechanical properties were accomplished in the reinforced PAN fibers. This should then allow the production of CNF reinforced carbon fibers with improved tensile properties. An increase in CNF loading (6.4 wt.%), however, reduced performance due to inefficient alignment of CNF along the fiber axis. Nevertheless, hot stretching (at draw ratio ≈ 10) of the filaments enhanced tensile strength and elastic modulus of PAN composite filaments by 20–30% compared to the control hot stretched PAN filaments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microstructural and Hall–Petch Analysis of Additively Manufactured Ferritic Alloy Using 2507 Duplex Stainless Steel Powder

The powder bed fusion–laser beam (PBF-LB) process, a method of additive manufacturing (AM), was used to print duplex stainless steel (DSS) using commercial-grade 2507 powders. While conventionally processed DSS has a two-phase microstructure consisting of 50% austenite and 50% ferrite, the PBF-LB-printed 2507 alloy was nearly 100% ferrite. Optimal processing conditions that minimized porosity were determined to be 290 W laser power and 1000 mm/s scan speed, and grain size, texture, and phases were characterized as a function of laser power and scan speed. Grain size increased with increasing laser power but decreased with increasing scan speed. A <100> texture diminished with increasing scan speed from 1000 mm/s to 1400 mm/s. No austenite phase was detected. Transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) characterization revealed nanoscale chromium nitride precipitates in the ferritic matrix (incoherent hexagonal close-packed (HCP) precipitates at grain boundaries and coherent body-centered cubic (BCC) precipitates within the grains) and a high density of tangled dislocations. Tensile tests of as-printed alloys showed a yield strength of 570 MPa, an ultimate tensile strength of 756 MPa, and an elongation to failure of 10%. The tensile properties were analyzed based on the observed microstructure considering grain size, nanoscale precipitates, and the high density of dislocations.

Crystallography↗
DOE OSTI2019

Maximization of thermal conductance at interfaces via exponentially mass-graded interlayers

Here, we propose a strategy to potentially best enhance interfacial thermal transport through solid–solid interfaces by adding nano-engineered, exponentially mass-graded intermediate layers. This exponential design rule results in a greater enhancement than a linearly mass-graded interface. By combining calculations using non-equilibrium Green's functions (NEGF) and non-equilibrium molecular dynamics (NEMD), we investigated the role of impedance matching and anharmonicity in the enhancement in addition to geometric parameters such as the number of layers and the junction thickness. Our analysis shows that the effect on thermal conductance is dominated by the phonon thermalization through anharmonic effects, while elastic phonon transmission and impedance matching play a secondary role. In the harmonic limit, increasing the number of layers results in greater elastic phonon transmission at each individual boundary, countered by the decrease of available conducting channels. Consequently, conductance initially increases with number of layers due to improved bridging, but quickly saturates. The presence of slight anharmonic effects (at very low temperature, T = 2 K) turns the saturation into a monotonically increasing trend. Anharmonic effects can further facilitate interfacial thermal transport through the thermalization of phonons at moderate temperatures. At high temperature, however, the role of anharmonicity as a facilitator of interfacial thermal transport reverses. Strong anharmonicity introduces significant intrinsic resistance, overruling the enhancement in thermal conduction at the boundaries. It follows that at a particular temperature, there exists a corresponding junction thickness at which thermal conductance is maximized.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In situ X-ray imaging of pore formation mechanisms and dynamics in laser powder-blown directed energy deposition additive manufacturing

Directed energy deposition (DED) additive manufacturing (AM) is receiving growing attention in many applications, such as repair, remanufacturing, and fabrication of functionally graded structures. However, the laser-matter interactions and melt pool dynamics in laser DED with powder flow are still unclear, particularly in how pores form and flow inside the melt pool during the process. Understanding the porosity formation mechanisms is critical in the qualification, certification, and overall properties of a DED AM part. Porosity is a common phenomenon and can significantly hinder the quality of DED fabricated parts, as the pores can act as sites of crack nucleation and propagation. Here in this paper, we reveal four types of pore formation mechanisms through in-situ and operando high-speed high-resolution X-ray imaging in the DED AM process. Our results confirm that porosity within the feedstock powder induces pores in the process. We also observed pore formation mechanisms unique to the laser-based, powder-blown DED process as a result of powder delivery, keyhole dynamics, melt pool dynamics, and shield gas. High-speed X-ray images provide direct evidence for pore formation mechanisms and show that the pores related to the interaction between the delivered powder and melt pool are the largest in size in laser-based powder-blown DED AM. These results will guide porosity mitigation, elimination, and control in DED AM.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Characterization of Shocked Beryllium

Beryllium metal has many excellent structural properties in addition to its unique radiation characteristics, including: high elastic modulus, low Poisson's ratio, low density, and high melting point. However, it suffers from several major mechanical drawbacks: 1) high anisotropy - due to its hexagonal lattice structure and its susceptibility to crystallographic texturing; 2) susceptibility to impurity-induced fracture - due to grain boundary segregation; and 3) low intrinsic ductility at ambient temperatures thereby limiting fabricability. While large ductility results from deformation under the conditions of compression, the material can exhibit a brittle behavior under tension. Furthermore, there is a brittle to ductile transition at approximately 200 C under tensile conditions. While numerous studies have investigated the low-strain-rate constitutive response of beryllium, the combined influence of high strain rate and temperature on the mechanical behavior and microstructure of beryllium has received limited attention over the last 40 years. Prior studies have focused on tensile loading behavior, or limited conditions of dynamic strain rate and/or temperature. The beryllium used in this study was Grade S200-F (Brush Wellman, Inc., Elmore, OH) material. The work focused on high strain rate deformation and examine the validity of constitutive models in deformation rate regimes, including shock, the experiments were modeled using a Lagrangian hydrocode. Two constitutive strength (plasticity) models, the Preston-Tonks-Wallace (PTW) and Mechanical Threshold Stress (MTS) models, were calibrated using the same set of quasi-static and Hopkinson bar data taken at temperatures from 77K to 873K and strain rates from 0.001/sec to 4300/sec. In spite of being calibrated on the same data, the two models give noticeably different results when compared with the measured wave profiles. These high strain rate tests were conducted using both explosive drive and a gas gun to accelerate the material. Preliminary analysis of the results appears to indicate that, if fractured by the initial shock loading, the S200F Be remains sufficiently intact to support a shear stress following partial release and subsequent shock re-loading of the material. Additional 'arrested' drive shots were designed and tested to minimize the reflected tensile pulse in the sample. These tests were done to both validate the model and to put large shock induced compressive loads into the beryllium sample.

36 MATERIALS SCIENCE↗
DOE OSTI2014

AGC-3 Experiment Irradiation Monitoring Data Qualification Final Report

The Graphite Technology Development Program will run a series of six experiments to quantify the effects of irradiation on nuclear-grade graphite. The third experiment, Advanced Graphite Creep 3 (AGC-3), began with Advanced Test Reactor (ATR) Cycle 152B on November 27, 2012, and ended with ATR Cycle 155B on April 23, 2014. This report documents qualification of AGC-3 experiment irradiation monitoring data for use by the Very High Temperature Reactor (VHTR) Technology Development Office (TDO) Program for research and development activities required to design and license the first VHTR nuclear plant. Qualified data meet the requirements for data collection and use as described in the experiment planning and quality assurance documents. Failed data do not meet the requirements. Trend data may not meet the requirements, but may still provide some useable information. The report documents qualification of AGC-3 experiment irradiation monitoring data following MCP-2691. This report also documents whether AGC-3 experiment irradiation monitoring data meet the requirements for data collection as specified in technical and functional requirements documents and quality assurance (QA) plans. Data handling is described showing how data are passed from the data collection experiment to the Nuclear Data Management and Analysis System (NDMAS) team. The data structure is described, including data batches, components, attributes, and response variables. The description of the approach to data qualification includes the steps taken to qualify the data and the specific tests used to verify that the data meet requirements. Finally, the current status of the data received by NDMAS from the AGC-3 experiment is presented with summarized information on test results and resolutions. This report addresses all of the irradiation monitoring data collected during the AGC-3 experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Demonstration of Energy-Resolved γ-Ray Detection at Room Temperature by the CsPbCl 3 Perovskite Semiconductor

The detection of gamma-rays at room temperature with high-energy resolution using semiconductors is one of the most challenging applications. The presence of even the smallest amount of defects is sufficient to kill the signal generated from gamma-rays which makes the availability of semiconductors detectors a rarity. Lead halide perovskite semiconductors exhibit unusually high defect tolerance leading to outstanding and unique optoelectronic properties and are poised to strongly impact applications in photoelectric conversion/detection. Here we demonstrate for the first time that large size single crystals of the all-inorganic perovskite CsPbCl 3 semiconductor can function as a high-performance detector for gamma-ray nuclear radiation at room temperature. CsPbCl 3 is a wide-gap semiconductor with a bandgap of 3.03 eV and possesses a high effective atomic number of 69.8. We identified the two distinct phase transitions in CsPbCl 3 , from cubic (Pm-3m) to tetragonal (P4/mbm) at 325 K and finally to orthorhombic (Pbnm) at 316 K. Despite crystal twinning induced by phase transitions, CsPbCl 3 crystals in detector grade can be obtained with high electrical resistivity of similar to 1.7 X 10 9 Ω∙cm. The crystals were grown from the melt with volume over several cubic centimeters and have a low thermal conductivity of 0.6 W m -1 K -1 . The mobilities for electron and hole carriers were determined to similar to 30 cm 2 /(V s). Using photoemission yield spectroscopy in air (PYSA), we determined the valence band maximum at 5.66 +/- 0.05 eV. Under gamma-ray exposure, our Schottky-type planar CsPbCl 3 detector achieved an excellent energy resolution (similar to 16% at 122 keV) accompanied by a high figure-of-merit hole mobility-lifetime product (3.2 x 10 -4 cm 2 /V) and a long hole lifetime (16 mu s). The results demonstrate considerable defect tolerance of CsPbCl 3 and suggest its strong potential for gamma-radiation and X-ray detection at room temperature and above.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Sliding Wear and Fretting Wear of DLC-Based, Functionally Graded Nanocomposite Coatings

Improving the tribological functionality of diamondlike carbon (DLC) films--developing, good wear resistance, low friction, and high load-carrying capacity-was the aim of this investigation. Nanocomposite coatings consisting of an amorphous DLC (a-DLC) top layer and a functionally graded titanium-titanium carbon-diamondlike carbon (Ti-Ti(sub x) C(sub y)-DLC) underlayer were produced on AISI 440C stainless steel substrates by the hybrid technique of magnetron sputtering and pulsed-laser deposition. The resultant DLC films were characterized by Raman spectroscopy, scanning electron microscopy, and surface profilometry. Two types of wear experiment were conducted in this investioation: sliding friction experiments and fretting wear experiments. Unidirectional ball-on-disk sliding friction experiments were conducted to examine the wear behavior of an a-DLC/Ti-Ti(sub x) C(sub y)-DLC-coated AISI 440C stainless steel disk in sliding contact with a 6-mm-diameter AISI 440C stainless steel ball in ultrahigh vacuum, dry nitrogen, and humid air. Although the wear rates for both the coating and ball were low in all three environments, the humid air and dry nitrogen caused mild wear with burnishing, in the a-DLC top layer, and the ultrahigh vacuum caused relatively severe wear with brittle fracture in both the a-DLC top layer and the Ti-Ti(sub x) C(sub y)-DLC underlayer. For reference, amorphous hydrogenated carbon (H-DLC) films produced on a-DLC/Ti-Ti(sub x) C(sub y)-DLC nanocomposite coatings by using an ion beam were also examined in the same manner. The H-DLC films markedly reduced friction even in ultrahigh vacuum without sacrificing wear resistance. The H-DLC films behaved much like the a-DLC/Ti-Ti(sub x) C(sub y)-DLC nanocomposite coating in dry nitrogen and humid air, presenting low friction and low wear. Fretting wear experiments were conducted in humid air (approximately 50% relative humidity) at a frequency of 80 Hz and an amplitude of 75 micron on an a-DLC/Ti-Ti(sub x) C(sub y)-DLC-coated AISI 440C disk and on a titanium-6 wt % aluminum-4 wt% vanadium (Ti-6Al-4V) flat, both in contact with a 9.4-mm-diameter, hemispherical Ti-6Al-4V pin. The resistance to fretting wear and damage of the a-DLC/Ti-6Al-4V materials pair was superior to that of the Ti-6Al-4V/Ti-6AI-4V materials pair.

Miyoshi, K.↗
DOE OSTI2023

FINITE ELEMENT MODEL MESH REFINEMENT EFFECTS ON QUALIFICATION OF NUCLEAR GRADE GRAPHITE COMPONENTS

The American Society of Mechanical Engineers (ASME) provides the full and simplified design-by-analysis probabilistic assessments for determining acceptance of nuclear grade graphite core components. The assessments can be characterized by three parts: (1) a component stress distribution, often determined by a finite element (FE) model; (2) a Weibull probability density function (pdf) that characterizes the experimental tensile strength distribution; and (3) the post-processor, which combines the FE model and the Weibull strength distribution in accordance with the full and simplified assessments to determine component acceptance. It is known that the level of mesh refinement in FE models can affect the modeled component’s calculated stress distribution. Depending on the component geometry, the stress distribution may converge with sufficient refinement. It was previously unknown whether the acceptance decision resulting from the full and simplified assessments might change even with sufficient mesh refinement. This study explores that question using experimental strength results for a dog-bone geometry for two graphite grades, IG-110 and PCEA. The simplified assessment has two criteria that must be met, the first limits the combined membrane stress by the allowable stress and the second limits the peak equivalent stress by the allowable stress scaled by the ratio of flexural to tensile strength. In the application of the simplified assessment, convergence of the peak equivalent stress required extreme mesh refinement, however, the acceptance decision was not affected. It is hypothesized that more complex geometries with stress concentrations may present mesh refinement effects on the simplified assessment acceptance decision. Mesh refinement did affect the acceptance decision in the full assessment for the applied pressure loadings in this study. This work suggests component stress distribution convergence is not a sufficient criteria for POF convergence in the full assessment and that mesh refinement should continue until the POF has converged, especially where the resulting POF is bordering the SRC acceptable POF limit.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Ultracoatings: Enabling Energy and Power Solutions in High Contact Stress Environments through next-generation Nanocoatings Final Technical Report

A review of current commercially available, industrial-grade, low friction coatings will show that interfacial contact pressures nearing 1GPa (~150ksi) inherently limit surface engineering solutions like WC, TiN, TiAlN, and so forth. Extremely hard coatings, then, are often pursued as the principle path, although they too are not without significant limitations. A majority of these compounds are inherently brittle in nature or may not pair well with their mating substrate. In either case, their durability in high contact stress environments is compromised. In parallel to thin film coatings, many conventional surface treatments do not yield an interface hard enough to withstand extreme stresses under load. New research into advanced, nanocomposite materials like (Ti, Zr)B 2 shows great promise. Bulk compacts of this compound have demonstrated an order of magnitude better wear resistance than current offerings, notably materials like tungsten carbide. At a laboratory level, the (Ti,Zr)B 2 nanocomposite material exhibited abrasive and erosive wear resistance nearly ten times better than existing mixed-phase boride systems. In ASTM abrasion and erosion testing, these new compositions exhibit wear resistance superior to other known advanced materials such as RocTec 500 and 'Borazon' cubic boron nitride. Many significant challenges exist for mass production of (Ti, Zr)B 2 , one of which is the necessary processing technology that is capable of minimizing deleterious impurity phases. Secondly, this material's performance is derived from a synergistic effect of the two materials existing as a single phase structure. While the individual constituents of TiB 2 and ZrB 2 do yield improvements to wear resistance, their singular effects are not as significant. Lastly, deposition of this material on a commercial level requires thorough knowledge of nanocomposite boride solids; the benefits associated with these innovative new materials are just being realized. Advancing this technology, called Ultracoatings, through initial development, scale up, and commercialization to a variety of markets would represent a transformative leap to surface engineering. Several application spaces were considered for immediate implementation of the Ultracoatings technology, including, but not limited to, a drive shaft for an aerospace fuel pump, engine timing components, and dry solids pump hardware for an innovative coal gasifier. The primary focus of the program was to evaluate and screen the performance of the selected (Ti, Zr)B 2 Ultracoatings composition for future development. This process included synthesis of the material for physical vapor deposition, sputtering trials and coating characterization, friction and wear testing on sample coupons, and functional hardware testing. The main project deliverables used to gage the project's adherence to its original objective were: Development of a coating/substrate pairing that exhibits wear rate of 0.1 mg/hour or lower at a 1GPa contact pressure, while achieving a maximum coating cost of $0.10/cm 2 . Demonstrate the aforementioned wear rate in both lubricated and starved lubrication conditions. Although the (Ti, Zr) B 2 coating was not tailored for low friction performance, friction and wear evaluations of the material demonstrated a coefficient of sliding friction as low as 0.09. This suggests that varying the percentage of TiB 2 present in the composite could enhance the materials performance in water-based lubricants. In the aerospace drive shaft application, functional hardware coated with (Ti, Zr)B 2 survived a variety of abuse and long-range durability tests, with contact pressures exceeding 2 GPa. For engine timing components, further work is planned to evaluate the Ultracoatings technology in direct injection and diesel engine conditions. In the final identified application space the dry solids pump hardware, discussions continue on the application of the Ultracoatings technology for those specific components. Full implementation of the technology into the targeted markets equates to a U.S.-based energy savings potential of over 100 trillion BTU per year by 2030. This exceeds the original projection of 60 TBTU/year by 2030.

(Ti,Zr) B2↗
DOE OSTI2013

Modeling Fission Product Sorption in Graphite Structures

The goal of this project is to determine changes in adsorption and desorption of fission products to/from nuclear-grade graphite in response to a changing chemical environment. First, the project team will employ principle calculations and thermodynamic analysis to predict stability of fission products on graphite in the presence of structural defects commonly observed in very high- temperature reactor (VHTR) graphites. Desorption rates will be determined as a function of partial pressure of oxygen and iodine, relative humidity, and temperature. They will then carry out experimental characterization to determine the statistical distribution of structural features. This structural information will yield distributions of binding sites to be used as an input for a sorption model. Sorption isotherms calculated under this project will contribute to understanding of the physical bases of the source terms that are used in higher-level codes that model fission product transport and retention in graphite. The project will include the following tasks: Perform structural characterization of the VHTR graphite to determine crystallographic phases, defect structures and their distribution, volume fraction of coke, and amount of sp2 versus sp3 bonding. This information will be used as guidance for ab initio modeling and as input for sorptivity models; Perform ab initio calculations of binding energies to determine stability of fission products on the different sorption sites present in nuclear graphite microstructures. The project will use density functional theory (DFT) methods to calculate binding energies in vacuum and in oxidizing environments. The team will also calculate stability of iodine complexes with fission products on graphite sorption sites; Model graphite sorption isotherms to quantify concentration of fission products in graphite. The binding energies will be combined with a Langmuir isotherm statistical model to predict the sorbed concentration of fission products on each type of graphite site. The model will include multiple simultaneous adsorbing species, which will allow for competitive adsorption effects between different fission product species and O and OH (for modeling accident conditions).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2011

ZrO2 Layer Thickness Dependent Electrical and Dielectric Properties of BST/ZrO2/BST Multilayer Thin Films

Recently, high K materials play an important role in microelectronic devices such as capacitors, memory devices, and microwave devices. Now a days ferroelectric barium strontium titanate [Ba{sub x}Sr{sub 1-x}TiO{sub 3}, (BST)] thin film is being actively investigated for applications in dynamic random access memories (DRAM), field effect transistor (FET), and tunable devices because of its properties such as high dielectric constant, low leakage current, low dielectric loss, and high dielectric breakdown strength. Several approaches have been used to optimize the dielectric and electrical properties of BST thin films such as doping, graded compositions, and multilayer structures. We have found that inserting a ZrO{sub 2} layer in between two BST layers results in a significant reduction in dielectric constant, loss tangent, and leakage current in the multilayer thin films. Also it is shown that the properties of multilayer structure are found to depend strongly on the sublayer thicknesses. In this work the effect of ZrO{sub 2} layer thickness on the dielectric, ferroelectric as well as electrical properties of BST/ZrO{sub 2}/BST multilayer structure is studied. The multilayer Ba{sub 0.8}Sr{sub 0.2}TiO{sub 3}/ZrO{sub 2}/Ba{sub 0.8}Sr{sub 0.2}TiO{sub 3} film is deposited by a sol-gel process on the platinized Si substrate. The thickness of the middle ZrO{sub 2} layer is varied while keeping the top and bottom BST layer thickness as fixed. It is observed that the dielectric constant, dielectric loss tangent, and leakage current of the multilayer films reduce with the increase of ZrO{sub 2} layer thickness and hence suitable for memory device applications. The ferroelectric properties of the multilayer film also decrease with the ZrO{sub 2} layer thickness.

14 SOLAR ENERGY↗
DOE OSTI2014

AGC-3 Experiment Irradiation Monitoring Data Qualification (Final Report)

The Graphite Technology Development Program will run a series of six experiments to quantify the effects of irradiation on nuclear grade graphite. The third experiment, Advanced Graphite Creep 3 (AGC 3), began with Advanced Test Reactor (ATR) Cycle 152B on November 27, 2012, and ended with ATR Cycle 155B on April 23, 2014. This report documents qualification of AGC 3 experiment irradiation monitoring data for use by the Very High Temperature Reactor (VHTR) Technology Development Office (TDO) Program for research and development activities required to design and license the first VHTR nuclear plant. Qualified data meet the requirements for data collection and use as described in the experiment planning and quality assurance documents. Failed data do not meet the requirements. Trend data may not meet the requirements, but may still provide some useable information. All thermocouples (TCs) functioned throughout the AGC 3 experiment. There was one interval between December 18, 2012, and December 20, 2012, where 10 NULL values were reported for various TCs. These NULL values were deleted from the Nuclear Data Management and Analysis System database. All temperature data are Qualified for use by the VHTR TDO Program. Argon, helium, and total gas flow data were within expected ranges and are Qualified for use by the VHTR TDO Program. Total gas flow was approximately 50 sccm through the AGC 3 experiment capsule. Helium gas flow was briefly increased to 100 sccm during ATR shutdowns. At the start of the AGC 3 experiment, moisture in the outflow gas line was stuck at a constant value of 335.6174 ppmv for the first cycle (Cycle 152B). When the AGC 3 experiment capsule was reinstalled in ATR for Cycle 154B, a new moisture filter was installed. Moisture data from Cycle 152B are Failed. All moisture data from the final three cycles (Cycles 154B, 155A, and 155B) are Qualified for use by the VHTR TDO Program.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗