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At least 1,171 records · Page 65

Additive manufacturing of materials: Opportunities and challenges

Additive manufacturing (also known as 3D printing) is considered a disruptive technology for producing components with topologically optimized complex geometries as well as functionalities that are not achievable by traditional methods. The realization of the full potential of 3D printing is stifled by a lack of computational design tools, generic material feedstocks, techniques for monitoring thermomechanical processes under in situ conditions, and especially methods for minimizing anisotropic static and dynamic properties brought about by microstructural heterogeneity. In this paper, we discuss the role of interdisciplinary research involving robotics and automation, process control, multiscale characterization of microstructure and properties, and high-performance computational tools to address each of these challenges. In addition, emerging pathways to scale up additive manufacturing of structural materials to large sizes (>1 m) and higher productivities (5–20 kg/h) while maintaining mechanical performance and geometrical flexibility are also discussed.

36 MATERIALS SCIENCE↗

Production of Copper-Plated Beamline Bellows and Spools for LCLS-II

The SLAC National Accelerator Laboratory is currently constructing a major upgrade to its accelerator, the Linac Coherent Light Source II (LCLS-II). Several Department of Energy national laboratories, including the Thomas Jefferson National Accelerator Facility (JLab) and Fermi National Accelerator Laboratory (FNAL), are participating in this project. The 1.3-GHz cryomodules for this project consist of eight cavities separated by bellows (expansion joints) and spools (tube sections), which are copper plated for RF conduction. JLab is responsible for procurement of these bellows and spools, which are delivered to JLab and FNAL for assembly into cryomodules. Achieving accelerator-grade copper plating is always a challenge and requires careful specification of requirements and application of quality control processes. Due to the demanding technical requirements of this part, JLab implemented procurement strategies to make the process more efficient as well as provide process redundancy. This paper discusses the manufacturing challenges that were encountered and resolved, as well as the strategies that were employed to minimize the impact of any technical issues.

Wilson, Katherine M.↗

Cavity Processing and Testing Activities at Jefferson Lab for LCLS-II Production

Cryomodule production for LCLS-II is well underway at Jefferson Lab. This paper explains the process flow for production cavities, from being received at the Test Lab to being assembled onto cavity strings. Taking our facility and infrastructure into consideration, process optimization and process control are implemented to ensure high quality products.

Davis, Giles↗

Wavelength Dispersive X-ray Fluorescence Analysis of Actinides in Dissolved Nuclear Fuels

There is an urgent need for an instrument that can quickly measure the concentration of Plutonium and other Actinides mixed with Uranium in liquids containing dissolved spent fuel rods. Parallax Research, Inc. proposes to develop an x-ray spectrometer capable of measuring U, Np and Pu in dissolved nuclear fuel rod material to less than 10 ppm levels to aid in material process control for these nuclear materials. Due to system noise produced by high radioactivity, previous x-ray spectrometers were not capable of low level measurements but the system Parallax proposed has no direct path for undesired radiation to get to the detector and the detector in the proposed device is well shielded from scatter and has very low dark current. In addition, the proposed spectrometer could measure these three elements simultaneously, also measuring background positions with an energy resolution of roughly 100 eV making it possible to see a small amount of Pu that would be hidden under the tail of the U peak in energy dispersive spectrometers. Another nearly identical spectrometer could be used to target Am and Cm if necessary. The proposed spectrometer needs only a tiny sample of roughly 1 micro-liter (1 mm 3 ) and the measurement can be done with the liquid flowing in a radiation and chemical immune quartz capillary protected by a stainless steel rod making it possible to continuously monitor the liquid or to use a capillary manifold to measure other liquid streams. Unlike other methods such as mass spectroscopy where the sample must be taken to a remote facility and might take days for turn-around, the proposed measurement should take less than an hour. This spectrometer could enable near real-time measurement of U, Pu and Np in dilute dissolved spent nuclear fuel rod streams.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Towards intelligent microstructural design of Nanocomposite Materials. Lightweight, high strength structural/armor materials for service in extreme environments

The intent of this research effort is to prove the hypothesis that: Through the employment of controlled processing parameters which are based upon integrated advanced material characterization and multi-physics material modeling, bulk nanolayered composites can be designed to contain high densities of preferred interfaces that can serve as supersinks for the defects responsible for premature damage and failure.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Role of Defects in Swelling and Creep of Irradiated SiC

Silicon carbide is a promising cladding material because of its high strength and relatively good corrosion resistance. However, SiC is brittle and therefore SiC-based components need to be carefully designed to avoid cracking and failure by fracture. In design of SiC-based composites for nuclear reactor applications it is essential to take into account how mechanical properties are affected by radiation and temperature, or in other words, what strains and stresses develop in this material due to environmental conditions. While thermal strains in SiC can be predicted using classical theories, radiation-induced strains are much less understood. In particular, it is critical to correctly account for radiation swelling and radiation creep, which contribute significantly to dimensional instability of SiC under radiation. Swelling typically increases logarithmically with radiation dose and saturates at relatively low doses (damage levels of a few dpa). Consequently, swelling-induced stresses are likely to develop within a few months of operation of a reactor. Radiation-induced volume swelling in SiC can be as high as 2%, which is significantly higher than the cracking strain of 0.1% in SiC. Swelling-induced strains will lead to enormous stresses and fracture, unless these stresses can be relaxed via some other mechanism. An effective way to achieve stress relaxation is via radiation creep. Although it has been hypothesized that both radiation swelling and radiation creep are driven by formation of defect clusters, existing models for swelling and creep in SiC are limited by the lack of understanding of specific defects that form due to radiation in the range of temperatures relevant to fuel cladding in light water reactors (LWRs) (<1000°C). For example, defects that can be detected with traditional transmission electron microscopy (TEM) techniques account only for 10-45% of the swelling measured in irradiated SiC. Here, we have undertaken an integrated experimental and modeling effort to discover the previously invisible defects in irradiated SiC and to determine the contributions of these defects to radiation swelling. Knowledge of the most stable defect structures and the rate controlling processes during defect evolution is essential for development of predictive models for swelling and creep as a function of temperature and radiation dose. This research has been enabled by state-of-the-art imaging techniques, such as the aberration corrected scanning transmission electron microscopy (STEM) (FEI TITAN) closely coupled with multi-scale models of stable defect clusters and their evolution.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Predictive Surface Complexation Modeling

Surface complexation plays an important role in the equilibria and kinetics of processes controlling the compositions of soilwaters and groundwaters, the fate of contaminants in groundwaters, and the subsurface storage of CO 2 and nuclear waste. Over the last several decades, many dozens of individual experimental studies have addressed aspects of surface complexation that have contributed to an increased understanding of its role in natural systems. However, there has been no previous attempt to develop a model of surface complexation that can be used to link all the experimental studies in order to place them on a predictive basis. Overall, my research has successfully integrated the results of the work of many experimentalists published over several decades. For the first time in studies of the geochemistry of the mineral-water interface, a practical predictive capability for modeling has become available. The predictive correlations developed in my research now enable extrapolations of experimental studies to provide estimates of surface chemistry for systems not yet studied experimentally and for natural and anthropogenically perturbed systems.

04 OIL SHALES AND TAR SANDS↗

Multi-scale modeling of carbon capture systems

The development and scale up of cost effective carbon capture processes is of paramount importance to enable the widespread deployment of these technologies to significantly reduce greenhouse gas emissions. The U.S. Department of Energy initiated the Carbon Capture Simulation Initiative (CCSI) in 2011 with the goal of developing a computational toolset that would enable industry to more effectively identify, design, scale up, operate, and optimize promising concepts. The first half of the presentation will introduce the CCSI Toolset consisting of basic data submodels, steady-state and dynamic process models, process optimization and uncertainty quantification tools, an advanced dynamic process control framework, and high-resolution filtered computationalfluid- dynamics (CFD) submodels. The second half of the presentation will describe a high-fidelity model of a mesoporous silica supported, polyethylenimine (PEI)-impregnated solid sorbent for CO 2 capture. The sorbent model includes a detailed treatment of transport and amine-CO 2 - H 2 O interactions based on quantum chemistry calculations. Using a Bayesian approach for uncertainty quantification, we calibrate the sorbent model to Thermogravimetric (TGA) data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Statistical Framework for Planning a Component Shelf Life Program.

This document outlines a statistical framework for establishing a shelf-life program for components whose performance is measured by the value of a continuous variable such as voltage or function time. The approach applies to both single measurement devices and repeated measurement devices, although additional process control charts may be useful in the case of repeated measurements. The approach is to choose a sample size that protects the margin associated with a particular variable over the life of the component. Deviations from expected performance of the measured variable are detected prior to the complete loss of margin. This ensures the reliability of the component over its lifetime.

47 OTHER INSTRUMENTATION↗

CoDCon Dynamic Modeling.

The Co-Decontamination (CoDCon) Demonstration project is designed to test the separation of a mixed U and Pu product from dissolved spent nuclear fuel. The primary purpose of the project is to quantify the accuracy and precision to which a U/Pu mass ratio can be achieved without removing a pure Pu product. The system includes an on-line monitoring system using spectroscopy to monitor the ratios throughout the process. A dynamic model of the CoDCon flowsheet and on-line monitoring system was developed in order to expand the range of scenarios that can be examined for process control and determine overall measurement uncertainty. The model development and initial results are presented here.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Visible Quantum Nanophotonics.

The goal of this LDRD is to develop a quantum nanophotonics capability that will allow practical control over electron (hole) and photon confinement in more than one dimension. We plan to use quantum dots (QDs) to control electrons, and photonic crystals to control photons. InGaN QDs will be fabricated using quantum size control processes, and methods will be developed to add epitaxial layers for hole injection and surface passivation. We will also explore photonic crystal nanofabrication techniques using both additive and subtractive fabrication processes, which can tailor photonic crystal properties. These two efforts will be combined by incorporating the QDs into photonic crystal surface emitting lasers (PCSELs). Modeling will be performed using finite-different time-domain and gain analysis to optimize QD-PCSEL designs that balance laser performance with the ability to nano-fabricate structures. Finally, we will develop design rules for QD-PCSEL architectures, to understand their performance possibilities and limits.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Integrated Predictive Tools for Customizing Microstructure and Material Properties of Additively Manufactured Aerospace Components

Additive Manufacturing (AM) refers to a process by which digital three-dimensional (3-D) design data is converted to build up a component by depositing material layer-by-layer. United Technologies Corporation (UTC) is currently involved in fabrication and certification of several AM aerospace structural components made from aerospace materials. This is accomplished by using optimized process parameters determined through numerous design-of-experiments (DOE)-based studies. Certification of these components is broadly recognized as a significant challenge, with long lead times, very expensive new product development cycles and very high energy consumption. Because of these challenges, United Technologies Research Center (UTRC), together with UTC business units have been developing and validating an advanced physics-based process model. The specific goal is to develop a physics-based framework of an AM process and reliably predict fatigue properties of built-up structures as based on detailed solidification microstructures. Microstructures are predicted using process control parameters including energy source power, scan velocity, deposition pattern, and powder properties. The multi-scale multi-physics model requires solution and coupling of governing physics that will allow prediction of the thermal field and enable solution at the microstructural scale. The state-of-the-art approach to solve these problems requires a huge computational framework and this kind of resource is only available within academia and national laboratories. The project utilized the parallel phase-fields codes at Oak Ridge National Laboratory (ORNL) and Lawrence Livermore National Laboratory (LLNL), along with the high-performance computing (HPC) capabilities existing at the two labs to demonstrate the simulation of multiple dendrite growth in threedimensions (3-D). The LLNL code AMPE was used to implement the UTRC phase field model that was previously developed for a model binary alloy, and the simulation results were compared against the UTRC simulation results, followed by extension of the UTRC model to simulate multiple dendrite growth in 3-D. The ORNL MEUMAPPS code was used to simulate dendritic growth in a model ternary alloy with the same equilibrium solidification range as the Ni-base alloy 718 using realistic model parameters, including thermodynamic integration with a Calphad based model for the ternary alloy. Implementation of the UTRC model in AMPE met with several numerical and parametric issues that were resolved and good comparison between the simulation results obtained by the two codes was demonstrated for two dimensional (2-D) dendrites. 3-D dendrite growth was then demonstrated with the AMPE code using nondimensional parameters obtained in 2-D simulations. Multiple dendrite growth in 2-D and 3-D were demonstrated using ORNL’s MEUMAPPS code using simple thermal boundary conditions. MEUMAPPS was then modified to incorporate the complex, time-dependent thermal boundary conditions obtained by UTRC’s thermal modeling of single track AM experiments to drive the phase field simulations. The results were in good agreement with UTRC’s experimental measurements.

36 MATERIALS SCIENCE↗

Final Project Report CFA-14-6357: A New Paradigm for Understanding Multiphase Ceramic Waste Form Performance

This project fabricated model multiphase ceramic waste forms with processing-controlled microstructures followed by advanced characterization with synchrotron and electron microscopy-based 3D tomography to provide elemental and chemical state-specific information resulting in compositional phase maps of ceramic composites. Details of 3D microstructural features were incorporated into computer-based simulations using durability data for individual constituent phases as inputs in order to predict the performance of multiphase waste forms with varying microstructure and phase connectivity.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Identification of Promising Remediation Technologies for Iodine in the UP-1 Operable Unit

Iodine-129 (129I) generated at the U.S. Department of Energy (DOE) Hanford Site during plutonium production was released to the subsurface, resulting in several large, though dilute, plumes in the groundwater, including the plume in the 200-UP-1 operable unit (OU). Because 129I is an uncommon contaminant, relevant remediation experience and scientific literature are limited, though work is under way to better understand the fate and transport of 129I in the environment and the effectiveness of potential remediation technologies. The recent UP-1 Evaluation Plan for Iodine and report on the Conceptual Model of Iodine Behavior in the Subsurface at the Hanford Site provide information on the history of contamination in the 200-UP-1 OU, relevant controlling processes (biological and geochemical), risk, the conceptual site model, and potential remedial options, which provided a foundation for this study. In this study, available information was compiled and used to categorize potential remediation technologies, culminating in a recommendation of promising technologies for further evaluation. Approaches to improve the technical information about promising technologies are also recommended in this study so that a subsequent evaluation of potential remediation alternatives can assess these technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Developing quantitative capabilities for a scanning microwave impedance microscope

Currently no instrument exists to quantitatively measure electrical properties (dielectric constant and conductivity) on sub-micron regions, a capability of extreme importance to measure the functioning of sub-micron structures and devices. In particular, such electrical measurements could support the development and manufacture of advanced energy related materials used in technologies such as photovoltaic cells, fuel cells and advanced batteries, thereby increasing performance and/or lowering production costs. The goal of this project is to develop microwave imaging add-on modules and probes capable of quantitatively measuring the electrical properties of small regions of a material using microwaves. These modules for scanning probe microscopes, such as atomic force microscopes, make use of the near-field interaction between the exciting microwaves and a material and can resolve regions 10 nanometers in size (less than a million atoms) with little perturbation of the material. In Phase 1 commercial probes and modified hardware were used to establish the feasibility of using microwave imaging systems to quantify local permittivity and conductivity. Repeatable measurements that vary in a systematic way with electrical parameters were obtained from a variety of samples. In Phase 2 research prototypes of the needed hardware and probes were developed and their performance against test structures and real-world samples was demonstrated. Result of this research project include demonstration of quantification of both permittivity and doping level at precisions up to 10% using multiple technical approaches. The level of performance and ease of use meets market expectations and the technology and protocols researched under this grant are currently being commercialized. Quantitative capabilities of this sort will provide a key capability to energy related technologies, and to a wide variety of semiconductor, biological, and materials science applications. Applications include both materials research in academic and industrial labs, as well as manufacturing applications. In a manufacturing environment the quantitative measurement and imaging capabilities could be used both as metrology for process control and as a tool for failure analysis and yield improvement.

36 MATERIALS SCIENCE↗

Fundamental Corrosion Studies in High-Temperature Molten Salt Systems for Next Generation Concentrated Solar Power Systems

The objective of this project is to increase Concentrated Solar Power (CSP) system lifetime through characterization of corrosion mechanisms in heat transfer systems and identification of materials and corrosion resistance methods applicable at temperatures above 850°C. Coupling of experimental methods with thermodynamic and kinetic modeling has given greater insight into the corrosion phenomena and enabled modeling of the corrosion in molten chloride heat transfer systems. The project has been identified the selective oxidation of Cr along the grain boundaries of high Cr content alloys as the principle corrosion mechanisms occurring in CSP systems. The corrosion rate was also found to be mass transfer limited by diffusion of chromium chlorides along the grain boundaries. It was shown that the corrosion could be increased by adding naturally convective flow to mechanism using a thermosiphon. A reaction mechanism has been proposed for selective oxidation of Cr that is driven by the electrochemical potential difference between the Ni crucible for immersion testing and the alloy coupon. This driving force will be similar to the differences caused by having varying Ni content or Cr content throughout a heat transfer system. It could also mimic the differences in electrochemical potential between various parts of the system that are at different temperatures. The reaction mechanism consists of an initiation step due to system impurities and a set of propagation steps that results in formation of a NiCr alloy at the crucible that drives corrosion and selective oxidation of Cr from the alloy. The presences of chromium chlorides in the salt are also essential to the corrosion mechanism to transport the Cr. The formation of a NiCr alloy on the crucible surface with no contact between the alloy coupons and the crucible provides support to this mechanism of having corrosion reactions occurring at both the alloy and the crucible. The thermodynamics of this reaction mechanism have been modeled and were shown to be galvanic. A corrosion model has been developed based on this mechanism and has been implemented in CFD so that it can be used to predict corrosion in a wide variety of system geometries. The model was validated using the thermosiphon data and dimensionless analysis. The corrosion rates of the samples were modeled to within 10% percent of the experimental values. The model has been extended to include the effect of Mg corrosion inhibitor on the corrosion rate in the system. The use of Mg as a metallic corrosion inhibitor has been demonstrated as a method to reduce the corrosion rate of alloys in molten chlorides to below 15 microns per year. Mg is an effective corrosion inhibitor at concentrations as low as 0.3 mol%. Corrosion potential monitoring experiments have shown that the Mg lowers the corrosion potential for the alloy below the equilibrium potential for Cr oxidation and thus prevents corrosion. Experiments have been performed on the ability of Mg to inhibit corrosion in realistic environments that include lower purity salts and welded and stressed alloys. The results have shown that for all these scenarios the corrosion can be reduced to meet the DOE targets. The electrochemical monitoring of Mg for process control has also been demonstrated.

14 SOLAR ENERGY↗

Exploratory Research: Transport and Transformation of Particulate Organic Matter in Permeable River Sediments

The hyporheic zone (HZ) is the volume of streambed sediments where surface water and groundwater mix. The mixing of ground and surface water geochemical constituents including organic matter and the presence of large microbial populations create an important location for biogeochemical activity. Large and periodic fluctuations in river stage such as those associated with operation of hydroelectric dams, may enhance downstream hyporheic exchange by reversing the direction of flow to/from the stream on a regular basis. Solute transport in hyporheic zones is affected by river regulation; however, little is known about the transport of particulate organic matter (POM) under these conditions. We performed a laboratory experiment to simulate the transport and retention of POM under conditions simulating flow reversal in the hyporheic zone. Here, POM is created by inoculating artificial river water with algae obtained from the Hanford Reach of the Columbia River. POM transport experiments are then conducted in columns packed with sandy sediments; these data are then used to calibrate a model describing fundamental processes controlling its transport in saturated sediments. Models results reveal that filtration, sorption to sediment, and sorption to previously retained POM are important mechanisms of POM retention in sandy, saturated sediments. Additionally, upon flow direction reversal, POM is readily mobilized leading to effluents concentrations above the initial input concentrations. These findings indicate that river stage changes may change POM storage in the hyporheic zone depending on the type and magnitude of flow variation.

54 ENVIRONMENTAL SCIENCES↗

LLNL SFA OBER–SBR FY19 Program Management and Performance Report: Biogeochemistry of Actinides

Over 2,600 metric tons of plutonium (Pu) are estimated to have been produced worldwide, with approximately 70-90 metric tons added to this inventory each year from spent nuclear fuel. A subset of this Pu inventory has been released into the environment as a result of nuclear weapons production, weapons testing, poor waste management practices, and nuclear accidents. The migration of low levels of Pu released in the environment has been documented on the scale of kilometers. Due to its long half-life, toxicity, and its ability to migrate, Pu represents a potentially significant risk to humankind and the environment. Their fate depends on the nature of the release, the biogeochemical processes controlling mobilization, and the eventual exposure pathways. Understanding their behavior in the environment is critical for managing environmental contamination and planning for the safe, long-term isolation of nuclear waste from the biosphere.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗