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At least 793 records · Page 44

APS Science 2020 (Vol. 2)

The U.S. Department of Energy's Advanced Photn Source (APS) is one of the world’s most productive x-ray light source facilities. Each year, the APS provides high-brightness x-ray beams to a diverse community of more than 5,000 researchers in materials science, chemistry, condensed matter physics, the life and environmental sciences, and applied research. Researchers using the APS produce over 2,000 publications each year detailing impactful discoveries, and solve more vital biological protein structures than users of any other x-ray light source research facility. APS x-rays are ideally suited for explorations of materials and biological structures; elemental distribution; chemical, magnetic, electronic states; and a wide range of technologically important engineering systems from batteries to fuel injector sprays, all of which are the foundations of our nation’s economic, technological, and physical well-being. The APS occupies an 80-acre site on the Argonne campus, about 25 miles from downtown Chicago, Illinois. It shares a site with the Center for Nanoscale Materials and the Advanced Protein Characterization Facility.

01 COAL, LIGNITE, AND PEAT↗

APS Science 2020 (Vol. 1)

The U.S. Department of Energy's Advanced Photon Source (APS) is one of the world’s most productive x-ray light source facilities. Each year, the APS provides high-brightness x-ray beams to a diverse community of more than 5,000 researchers in materials science, chemistry, condensed matter physics, the life and environmental sciences, and applied research. Researchers using the APS produce over 2,000 publications each year detailing impactful discoveries, and solve more vital biological protein structures than users of any other x-ray light source research facility. APS x-rays are ideally suited for explorations of materials and biological structures; elemental distribution; chemical, magnetic, electronic states; and a wide range of technologically important engineering systems from batteries to fuel injector sprays, all of which are the foundations of our nation’s economic, technological, and physical well-being. The APS occupies an 80-acre site on the Argonne campus, about 25 miles from downtown Chicago, Illinois. It shares a site with the Center for Nanoscale Materials and the Advanced Protein Characterization Facility.

25 ENERGY STORAGE↗

Development and demonstration of manufacturing processes for fabricating graphite/PMR-15 polyimide structural elements

The processing requirements for graphite/PMR-15 polyimide composites developed to demonstrate the structural integrity of polyimide composite structural elements at temperatures up to 589K (600 F) are described. Major tasks included: quality assurance development; materials and process development; specification verification; flat panel fabrication; stiffened panel fabrication; honeycomb panel fabrication; chopped fiber moldings; and demonstration component fabrication. Materials, processing, and quality assurance documents were prepared from experimentally derived data. Structural elements consisting of flat panels, corrugated stiffeners, I-beams, hat stiffeners, honeycomb panels, and chopped fiber moldings were made and tested. Property data from 219K (-65 F) to 589K (600 F) were obtained. All elements were made in a production environment. The size of each element was sufficient to insure production capability and structural component applicability. Problems associated with adhesive bonding, laminate and structural element analysis, material variability, and test methods were addressed.

Sheppard, C. H.↗

Highly Stable Fe/Co-TPY-MIL-88(NH 2 ) Metal–Organic Framework (MOF) in Enzymatic Cascade Reactions for Chemiluminescence-Based Detection of Extracellular Vesicles

Metal-Organic Frameworks (MOFs) can deliver many advantages when acting as enzyme mimics to assist with signal amplification in molecular detection: they have abundant active catalytic sites per unit volume of the material; their structures and elemental compositions are highly tunable, and their high specific surface area and porous property can assist with target separation and enrichment. In the present work, we have demonstrated that, by adding the pore partition agent, 2,4,6-tris(4-pyridyl)pyridine (TPY) during synthesis of the bimetallic Fe/Co-MIL-88(NH 2 ) MOF to block the open metal sites, a highly porous MOF of Fe/Co-TPY-MIL-88(NH 2 ) can be produced. This material also exhibits high stability in basic solutions and biofluids and possesses high peroxidase-mimicking activity, which can be utilized to produce long-lasting chemiluminescence (CL) from luminol and H 2 O 2 . Moreover, acting as the peroxidase-mimic, the Fe/Co-TPY-MIL-88(NH 2 ) MOF can form the enzymatic cascade with glucose oxidase (GOx) for biomarker detection. Further, when applied to detect extracellular vesicles (EVs), the MOF material and GOx are brought to the proximity on the EVs through two surface proteins, which triggers the enzyme cascade to produce high CL from glucose and luminol. EVs within the concentration range of 5 × 10 5 - 4 ×10 7 particles/mL can be detected, and the method can be used to analyze EV contents in human serum without sample preparation and EV purification. Overall, our work demonstrates that the high versatility and tunability of the MOF structures could bring in significant benefits to biosensing and enable ultrasensitive detection of biomarkers with judicious material designs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of an advanced photovoltaic concentrator system for space applications

Recent studies indicate that significant increases in system performance (increased efficiency and reduced system mass) are possible for high power space based systems by incorporating technological developments with photovoltaic power systems. The Advanced Photovoltaic Concentrator Program is an effort to take advantage of recent advancements in refractive optical elements. By using a domed Fresnel lens concentrator and a prismatic cell cover, to eliminate metallization losses, dramatic reductions in the required area and mass over current space photovoltaic systems are possible. The advanced concentrator concept also has significant advantages when compared to solar dynamic Organic Rankine Cycle power systems in Low Earth Orbit applications where energy storage is required. The program is currently involved in the selection of a material for the optical element that will survive the space environment and a demonstration of the system performance of the panel design.

Piszczor, Michael F., Jr.↗

Development of an advanced photovoltaic concentrator system for space applications

Recent studies indicate that significant increases in system performance (increased efficiency and reduced system mass) are possible for high power space based systems by incorporating technological developments with photovoltaic power systems. The Advanced Photovoltaic Concentrator Program is an effort to take advantage of recent advancements in refractive optical elements. By using a domed Fresnel lens concentrator and a prismatic cell cover, to eliminate metallization losses, dramatic reductions in the required area and mass over current space photovoltaic systems are possible. The advanced concentrator concept also has significant advantages when compared to solar dynamic Organic Rankine Cycle power systems in Low Earth Orbit applications where energy storage is required. The program is currently involved in the selection of a material for the optical element that will survive the space environment and a demonstration of the system performance of the panel design.

Piszczor, Michael F., Jr.↗

Materials Data on In3B by Materials Project

(In)3B is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is zero-dimensional and consists of one boron, metallic molecule and three indium, elemental molecules.

36 MATERIALS SCIENCE↗

Materials Data on Sr3H by Materials Project

(Sr)6H2 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of two dihydrogen molecules and six strontium, elemental molecules.

36 MATERIALS SCIENCE↗

Analytical, Experimental, and Modelling Studies of Lunar and Terrestrial Rocks

The goal of our research has been to understand the paths and the processes of planetary evolution that produced planetary surface materials as we find them. Most of our work has been on lunar materials and processes. We have done studies that obtain geological knowledge from detailed examination of regolith materials and we have reported implications for future sample-collecting and on-surface robotic sensing missions. Our approach has been to study a suite of materials that we have chosen in order to answer specific geologic questions. We continue this work under NAG5-4172. The foundation of our work has been the study of materials with precise chemical and petrographic analyses, emphasizing analysis for trace chemical elements. We have used quantitative models as tests to account for the chemical compositions and mineralogical properties of the materials in terms of regolith processes and igneous processes. We have done experiments as needed to provide values for geochemical parameters used in the models. Our models take explicitly into account the physical as well as the chemical processes that produced or modified the materials. Our approach to planetary geoscience owes much to our experience in terrestrial geoscience, where samples can be collected in field context and sampling sites revisited if necessary. Through studies of terrestrial analog materials, we have tested our ideas about the origins of lunar materials. We have been mainly concerned with the materials of the lunar highland regolith, their properties, their modes of origin, their provenance, and how to extrapolate from their characteristics to learn about the origin and evolution of the Moon's early igneous crust. From this work a modified model for the Moon's structure and evolution is emerging, one of globally asymmetric differentiation of the crust and mantle to produce a crust consisting mainly of ferroan and magnesian igneous rocks containing on average 70-80% plagioclase, with a large, mafic, trace-element-rich geochemical province, and a regolith that globally contains trace-element-rich material distributed from this province by the Imbrium basin-forming impact. This contrasts with earlier models of a concentrically zoned Moon with a crust of ferroan anorthosite overlying a layer of urKREEP overlying ultramafic cumulates. From this work, we have learned lessons useful for developing strategies for studying regolith materials that help to maximize the information available about both the evolution of the regolith and the igneous differentiation of the planet. We believe these lessons are useful in developing strategies for on-surface geological, mineralogical, and geochemical studies, as well. The main results of our work are given in the following brief summaries of major tasks. Detailed accounts of these results have been submitted in the annual progress reports.

Haskin, Larry A.↗

Characterization of a mock up nuclear waste package using energy resolved MeV neutron analysis

Reliable radiographic methods for characterizing nuclear waste packages non-destructively (without the need to open containers) have the potential to significantly contribute to safe handling and future disposal options, particularly for legacy waste of unknown content. Due to required shielding of waste containers and the need to characterize materials consisting of light elements, X-ray methods are not suitable. Here, energy-resolved MeV neutron radiography is demonstrated as a first-of-its-kind application for non-destructive and remote examination of mock up nuclear waste packages from a safe position using time-of-flight techniques enabled by a novel event-mode imaging detector system. Energy-resolved neutron transmission spectra were measured spatially, permitting the detection of analogue materials to actual nuclear waste such as water, melamine, and ion exchange resin within a 2.54 cm wall thickness steel pipe. The results demonstrate the capability to locate the materials through this wall thickness by radiography and tomographic reconstruction, revealing detailed 3D distributions and structural anomalies. The method effectively detects residual water in ion exchange resin, highlighting its sensitivity to moisture content, a crucial parameter for nuclear waste characterization. Monte Carlo simulations are in agreement with the experimental findings, providing a pathway to simulate waste forms more difficult to tackle experimentally. This work paves the way to apply sub-nanosecond intense MeV neutron sources, such as laser-driven neutron sources under development, to nuclear waste characterization.

36 MATERIALS SCIENCE↗

An over-approximation of entropy for elemental multiconfigurational ground state electronic structures

The ability to predict the chemical and physical properties of a material is directly related to the structure and interactions of its electrons. For materials comprised of f-block elements (the lanthanides and actinides found in the last two rows of the periodic table), the complexity of electronic structure has presented great difficulty in understanding, modeling, and predicting material properties. The complexity of multiconfigurational ground state electronic structures is illustrated herein by the combinatorics of electron permutations within individual and cumulative occupancy configurations. A non-integer orbital occupancy representation of multiconfigurational ground states is described for superposition mixing between multiple near-energy degenerate occupancy configurations and generalized in such a way that established ground states are returned by approximation for elements with less-complex electronic structures. By considering the occupancy configurations as statistical mechanics macrostates, and the permutations of electrons as statistical mechanics microstates within those macrostates, an over-approximation of entropy for multiconfigurational elemental ground state electronic structures has been calculated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Simulating High Energy Dynamic Impact of IM7/PEKK Continuous Fiber Laminated Thermoplastic Composite using Open Hole Coupon Experiments

The use of advanced thermoplastic composites (TPC) for structural applications in the aerospace and automotive industries has grown increasingly popular due to their high performance, high manufactured part output, and sustainability. Enhancing verification simulations of the progressive failure in TPCs at the coupon scale is needed to better validate advanced composite material models at larger length scales, such as element level panels. MAT_213, a tabulated composite material model, has been applied to simulate high velocity dynamic impact (HEDI) and is integrated in the LS-DYNA explicit finite element (FE) software. Previous efforts using MAT_213 have calibrated HEDI simulated failures with experimental data. Traditionally simulations have relied on a structured mesh to represent quasi-isotropic panels. For this study, a continuous fiber unidirectional tape, IM7/PEKK, was analyzed through a series of verification studies of notched laminate coupons, then validation analyses of quasi-isotropic panels under HEDI were compared with experimental data. Experiments using unidirectional TPC were performed to obtain tabulated stress vs strain curves using Digital Image Correlation (DIC) for input into MAT_213. Next, notched coupon experiments were used as an intermediate step to calibrate the damage and failure behavior in MAT_213. Lastly, investigations into differences between HEDI simulations using a fiber aligned mesh were compared with experimental failure patterns and damage sizes. The use of experimentally generated material behavior along with selective mesh layout improved HEDI predictions with minimal material parameter calibration.

Polymer matrix composites↗

Ligand-Assisted Separation of Rare Earth Elements via Capillary Electrophoresis

Rare earth elements (REEs) are a class of critical materials vital in applications such as EVs, batteries, and defense weapons systems. These elements are found primarily in ores, and due to their similar chemical behavior, the challenge remains to find an effective means of separation. The addition of ligands of varying charge, size, denticity, etc. can help to increase separation, yet the mechanistic behavior and factors influencing separation are still poorly understood. Here, iminodiacetic acid (IDA) is used to exploit and maximize differences in electrophoretic mobilities between adjacent REEs. Mobilities and diffusion coefficients of REEs in aqueous media are measured via CE and are compared to MD and FEM simulations.

36 MATERIALS SCIENCE↗

Alumina Encapsulated Strain Gage Not Mechanically Attached To The Substrate, Used to Temperature Compensate an Active High Temperature Gage In A Half-Bridge Configuration

A temperature compensation element for a high-temperature strain gage and the method of fabricating the same. Preferably, the element is a "dummy" strain gage not mechanically attached to the substrate. The element is encapsulated in an insulative material and used to compensate an active high-temperature strain gage and wired in a half-bridge configuration. The temperature compensation element and high-temperature strain gage are fabricated using the method of the present invention. This method includes temporarily adhering the element to a heat sink, encapsulated in an insulative material and then removed from the heat sink. Next, the element is either stacked or placed near the active gage. Ideally, the element and the active gage have substantially similar heat transfer and electrical properties.

Anthony Piazza↗

ORNL Package Testing Program Overview

When transporting radioactive or hazardous materials, safety and security are top priorities. Packaging and transportation regulations require reliable evidence that containers have passed rigorous performance tests to ensure that the public and the environment are protected from the hazardous nature of the cargo. Because of its long history in energy and security research, Oak Ridge National Laboratory (ORNL) has needed to ship hazardous packages for the past 65 years. Since the 1940s, ORNL has made significant contributions to transportation regulations and has been at the forefront of regulatory testing development. Today, ORNL is a leader in standards development and testing of designs of radioactive material packages. ORNL plays a critical role in ensuring the safe transportation of radioactive materials across the United States by executing rigorous testing campaigns of packages that contain radioactive materials. Early testing activities focused on supporting the development of transportation regulations established by both the International Atomic Energy Agency (IAEA) and the United States. Currently, all package testing activities are performed under the Package Testing Program (PTP) at the Package Evaluation Facility (PEF) located at the National Transportation Research Center (NTRC), which is about 10 miles from the main ORNL campus. The PTP develops and evaluates testing solutions, ensuring that they are safe efficient, and in compliance with regulatory requirements. The vision for the PTP is to be a world-class leader in the evaluation and testing of radioactive and hazardous material packages. The key elements necessary to fulfill this mission are an experienced and professional staff; state-of-the-art facilities, equipment, and instrumentation; and completion of challenging programs and projects important to package transportation. Collaborations with other internal and external organizations play a significant role in building stronger teams and achieving this vision. By adhering to and advancing regulatory standards, ORNL’s PTP supports development of safe and compliant packaging, safeguarding the transportation process from potential risks associated with radioactive material logistics.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Unsteady heat transfer in turbine blade ducts: Focus on combustor sources

Thermal waves generated by either turbine rotor blades cutting through nonuniform combustor temperature fields or unsteady burning could lead to thermal fatigue cracking in the blades. To determine the magnitude of the thermal oscillation in blades with complex shapes and material compositions, a finite element Galerkin formulation has been developed to study combustor generated thermal wave propagation in a model two-dimensional duct with a uniform plug flow profile. The reflection and transmission of the thermal waves at the entrance and exit boundaries are determined by coupling the finite element solutions at the entrance and exit to the eigenfunctions of an infinitely long adiabatic duct. Example solutions are presented. In general, thermal wave propagation from an air passage into a metallic blade wall is small and not a problem. However, if a thermal barrier coating is applied to a metallic surface under conditions of a high heat transfer, a good impedance match is obtained and a significant portion of the thermal wave can pass into the blade material.

Baumeister, Kenneth J.↗

Unsteady heat transfer in turbine blade ducts - Focus on combustor sources

Thermal waves generated by either turbine rotor blades cutting through nonuniform combustor temperature fields or unsteady burning could lead to thermal fatigue cracking in the blades. To determine the magnitude of the thermal oscillation in blades with complex shapes and material compositions, a finite element Galerkin formulation has been developed to study combustor generated thermal wave propagation in a model two-dimensional duct with a uniform plug flow profile. The reflection and transmission of the thermal waves at the entrance and exit boundaries are determined by coupling the finite element solutions at the entrance and exit to the eigenfunctions of an infinitely long adiabatic duct. Example solutions are presented. In general, thermal wave propagation from an air passage into a metallic blade wall is small and not a problem. However, if a thermal barrier coating is applied to a metallic surface under conditions of a high heat transfer, a good impedance match is obtained and a significant portion of the thermal wave can pass into the blade material.

Baumeister, K. J.↗

Variable Stiffness Panel Structural Analyses With Material Nonlinearity and Correlation With Tests

Results from structural analyses of three tow-placed AS4/977-3 composite panels with both geometric and material nonlinearities are presented. Two of the panels have variable stiffness layups where the fiber orientation angle varies as a continuous function of location on the panel planform. One variable stiffness panel has overlapping tow bands of varying thickness, while the other has a theoretically uniform thickness. The third panel has a conventional uniform-thickness [plus or minus 45](sub 5s) layup with straight fibers, providing a baseline for comparing the performance of the variable stiffness panels. Parametric finite element analyses including nonlinear material shear are first compared with material characterization test results for two orthotropic layups. This nonlinear material model is incorporated into structural analysis models of the variable stiffness and baseline panels with applied end shortenings. Measured geometric imperfections and mechanical prestresses, generated by forcing the variable stiffness panels from their cured anticlastic shapes into their flatter test configurations, are also modeled. Results of these structural analyses are then compared to the measured panel structural response. Good correlation is observed between the analysis results and displacement test data throughout deep postbuckling up to global failure, suggesting that nonlinear material behavior is an important component of the actual panel structural response.

Wu, K. Chauncey↗