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DOE OSTI2020

Mechanical Characterization of Fe-Co-2V (Hiperco): Fatigue/Monotonic Testing Hardness Testing and Fractography

Fe-Co-2V is a popular metallic alloy used in electromagnetic applications. However, there is a lack of mechanical fatigue characterization of this alloy in the literature. In this work, Fe-Co-2V specimens with rectangular cross-sections were carefully prepared in accordance with standards. They were measured for surface roughness and then subjected to quasi-static monotonic testing, as well as fatigue testing at both 0.5 Hz and 1 Hz frequencies. Both Rockwell hardness and Vickers micro- hardness testing were performed. Additionally, scanning electron microscopy imaging of the fractured surfaces was done. The quasi-static testing revealed a flat yield region characteristic of Laders bands. Here, the fatigue results did not show significant differences or sensitivity to change in frequency, although the fatigue life was higher on average for the 0.5 Hz. However, the fatigue results differed from published work at 0.33 Hz. The fractography revealed purely brittle fracture, with clear chevron marks and fracture initiation always starting at the surface. Lastly, it was identified that the C, D, and F Rockwell hardness scales were appropriate for testing this material and that the grain size necessitated the use of the upper end of indentation force for Vickers micro-hardness testing.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Emergent Quantum Magnetism and Cryogenic Spin-Memory in Twisted Bilayer Graphene

Recently developed techniques for assembling moiré heterostructures have enabled unprecedented control of the interlayer interactions within the heterostructure, allowing for the realization of strongly correlated electronic states. The experimentally realized states, to date, include a variety of topological states, superconductivity, and strange metal behavior. However, the phenomenology varies significantly from sample to sample. Here we will present microscopy techniques for further characterization of both the progenitor exfoliated materials and the composite moiré heterostructure. The application of these techniques has allowed for an unprecidented degree of characterization in ambient conditions. Additionally we will explore the use of resistively detected electron spin resonance (ESR) as a novel probe for spin order in moirés. While our results do not show clearly dispersive features that would unambiguously evince spin excitations within the sample, the technique is still promising.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Highly Insulated Wall Systems with Exterior Insulation of Polyisocyanurate under Different Facer Materials: Material Characterization and Long-Term Hygrothermal Performance Assessment

The application of exterior insulation in both new construction and retrofits is a common practice to enhance the energy efficiency of buildings. In addition to increased thermal performance, the rigid insulation can serve to keep the sheathing board warm and serve as a water-resistive barrier to keep moisture-related problems due to condensation and wind-driven rain. Polyisocyanurate (PIR) rigid boards have a higher thermal resistance in comparison to other commonly used exterior insulation boards. However, because of its perceived lower permeance, its use as exterior insulation is not very common. In this study, the hygrothermal property of PIR boards with different facer types and thicknesses is characterized. The material data obtained through experimental test and extrapolation is used in a long term hygrothermal performance assessment of a wood frame wall with PIR boards as exterior insulation. Results show that PIR with no facer has the smallest accumulated moisture on the sheathing board in comparison to other insulation boards. Walls with a bigger thickness of exterior insulation perform better when no vapor barrier is used. The PIR exterior insulation supports the moisture control strategy well in colder climates in perfect wall scenarios, where there is no air leakage and moisture intrusion. In cases where there is trapped moisture, the sheathing board has a higher moisture content with PIR boards with both aluminum or fiberglass type facers. An innovative facer material development for PIR boards can help efforts targeting improved energy-efficient and durable wall systems.

36 MATERIALS SCIENCE↗

NASA NTRS2010

Feasibility of Exoplanet Coronagraphy with the Hubble Space Telescope

Herein we report on a preliminary study to assess the use of the Hubble Space Telescope (HST) for the direct detection and spectroscopic characterization of exoplanets and debris disks - an application for which HST was not originally designed. Coronagraphic advances may enable the design of a science instrument that could achieve limiting contrasts approx.10deg beyond 275 milli-arcseconds (4 lambda/D at 800 nm) inner working angle, thereby enabling detection and characterization of several known jovian planets and imaging of debris disks. Advantages of using HST are that it already exists in orbit, it's primary mirror is thermally stable and it is the most characterized space telescope yet flown. However there is drift of the HST telescope, likely due to thermal effects crossing the terminator. The drift, however, is well characterized and consists of a larger deterministic components and a smaller stochastic component. It is the effect of this drift versus the sensing and control bandwidth of the instrument that would likely limit HST coronagraphic performance. Herein we discuss the science case, quantifY the limiting factors and assess the feasibility of using HST for exoplanet discovery using a hypothetical new instrument. Keywords: Hubble Space Telescope, coronagraphy, exoplanets, telescopes

Lyon, Richard G.↗

DOE OSTI2015

Measurement of colloidal phenomena during flow through refractive index matched porous media

Colloidal phenomena in porous media, natural or engineered, are important in a breadth of science and technology applications, but fundamental understanding is hampered by the difficulty in measuring colloid deposit morphology in situ . To partially address this need, this work describes a static light scattering apparatus using a flow cell filled with refractive index matched (RIM) porous media, allowing real-time measurement of colloidal phenomena as a function of depth within the flow cell. A laser interacts with the colloids in the pore space and their structures, but not with the RIM media. The intensity of scattered light is measured as a function of scattering angle, which allows characterization of colloid deposit morphology as a fractal dimension and a radius of gyration. In parallel, fluid discharge rate and pressure drop are recorded to determine permeability, a key parameter for any application involving flow through porous media. This apparatus should prove useful in any application requiring characterization of colloidal phenomena within porous media. Additionally, this paper describes how to use granular Nafion as RIM porous media.

42 ENGINEERING↗

DOE OSTI2015

CURRENT APPLICATIONS OF THREE MILE ISLAND-2 CORE AND DEBRIS HANDLING AT THE IDAHO NATIONAL LABORATORY

Fuel recovery from severe accidents requires careful planning and execution. The Idaho National Laboratory played a key role in the Three Mile Island (TMI) fuel and core recovery. This involved technology development to locate and handle the damaged fuel; characterization of fuel and debris; analysis of fuel interaction with structural components and materials; development of fuel drying technology for long-term storage. However, one of the critical activities from the TMI project was the extensive effort document all the activities and archive the reports and photos. A historical review of the TMI project at the INL leads to the identification of current applications and considerations for facility designs, fuel handling, robotic applications, material characterization, etc.

Fukushima Recovery↗

DOE OSTI2017

Facilitating the Use of Epidemiological Models for Infectious Disease Surveillance

1. To develop a comprehensive model characterization framework to describe epidemiological models in an operational context. 2. To apply the framework to characterize “operational” models for specific infectious diseases and provide a web-based directory, the biosurveillance analytics resource directory (BARD) to the global infectious disease surveillance community. Epidemiological modeling for infectious disease is useful for disease management and routine implementation needs to be facilitated through better description of models in an operational context. A standardized model characterization process that allows selection or making manual comparisons of available models and their results is currently lacking. Los Alamos National Laboratory(LANL) has developed a comprehensive framework that can be used to characterize an infectious disease model in an operational context. We offer this framework and an associated database to stakeholders of the infectious disease modeling field as a tool for standardizing model description and facilitating the use of epidemiological models. Such a framework could help the understanding of diverse models by various stakeholders with different preconceptions, backgrounds, expertise ,and needs, and can foster greater use of epidemiological models as tools in infectious disease surveillance. We define, “operational” as the application of an epidemiological model to a real-world event for decision support and can be used by experts and non-experts alike. The term “model” covers three major types, risk mapping, disease dynamics and anomaly detection. To develop a framework for characterizing epidemiological models we collected information via a three-step process: a literature search of model characteristics, a review of current operational infectious disease epidemiological models, and subject matter expert (SME)panel consultation. We limited selection of operational models to five infectious diseases: influenza, malaria, dengue, cholera and foot-and-mouth disease (FMD). These diseases capture a variety of transmission modes, represent high or potentially high epidemic or endemic burden, and are well represented in the literature. We also developed working criteria for what attributes can be used to comprehensively describe an operational model including a model’s documentation, accessibility, and sustainability. To apply the model characterization framework, we built the BARD, which is publicly available (http://brd.bsvgateway.org).A document was also developed to describe the usability requirements for the BARD; potential users (and non-users) and use cases are formally described to explain the scope of use. 1. Framework for model characterization. The framework is divided into six major components (Figure 1):Model Purpose, Model Objective, Model Scope, Biosurveillance(BSV) goals, Conceptual Model and Model Utility; each of which has several sub-categories for characterizing each aspect of a model.2. Application to model characterization Models for five infectious diseases—cholera, malaria, influenza, FMD and dengue were characterized using the framework and are included in the BARD database. Our framework characterized disparate models in a streamlined fashion. Model information could be binned into the same categories, allowing easy manual comparison and understanding of the models.3. Development of the BARD. Our model characterization framework was implemented into an actionable tool which provides specific information about a model that has been systematically categorized. It allows manual category-to-category comparison of multiple models for a single disease and while the tool does not rank models it provides model information in a format that allows a user to make a ranking or an assessment of the utility of the model. With the model characterization framework we hope to encourage model developers to start describing the many features of their models using a common format. We illustrate the application of the framework through the development of the BARD which is a scientific and non-biased tool for selecting an appropriate epidemiological model for infectious disease surveillance. Epidemiological models are not necessarily being developed with decision makers in mind. This gap between model developers and decision makers needs to be narrowed before modeling becomes routinely implemented in decision making. The characterization framework and the tool developed (BARD) area first step towards addressing this gap.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2002

Effects of Thermomechanical History on the Tensile Behavior of Nitinol Ribbon

Shape memory alloys (SMAs) have enormous potential for a wide variety of applications. A large body of work exists on the characterization of the microstructure and stress-strain behavior of these alloys, Nitinol (NiTi) in particular. However, many attributes of these materials are yet to be fully understood. Previous work at NASA Langley Research Center (LaRC) has included fabrication of hybrid composite specimens with embedded Nitinol actuators and modeling of their thermomechanical behavior. An intensive characterization effort has been undertaken to facilitate fundamental understanding of this alloy and to promote implementation of Nitinol in aerospace applications. Previous work revealed attributes of the Nitinol ribbon that were not easily rationalized with existing data in the literature. In particular, tensile behavior at ambient temperature showed significant dependence on the thermomechanical history prior to testing. The present work is focused on characterizing differences in the microstructure of Nitinol ribbons exposed to four different thermomechanical histories and correlation of the microstructure with tensile properties. Differential scanning calorimetry (DSC) and x-ray diffraction (XRD) analysis were employed to rationalize the microstructures present after exposure to various thermomechanical histories. Three of the Nitinol ribbon conditions were reversible upon heating (in the DSC) through the reverse transformation temperature (A(sub f) to transform the microstructure to austenite. However, the prior thermomechanical conditioning for the Nitinol ribbon that reflected the entire fabrication procedure (4% thermal cycle condition) was found to have an irreversible effect on the microstructure, as it remained unchanged after repeated complete thermal cycles. Tensile tests were conducted to determine the effect of prior thermomechancal conditioning on both the tensile behavior of the Nitinol ribbons and the stress state of the microstructure. The stress-strain behavior of the Nitinol actuators appears to be governed by the interplay between two major variables: namely, microstructural constituents such as the R-phase and the martensite; and the stress state of these constituents (whether twinned with low residual stresses, or detwinned with high residual stresses). The most significant difference in the stress-strain behavior of the four conditions, the critical stress required to achieve an initial stress plateau, was found to depend on both the amount and stress state (twinned or detwinned) of R-phase present in the initial microstructure. Thus, the effect of prior thermomechanical processing is critical to the resulting tensile behavior of the Nitinol actuator. For numerical modeling inputs one must take into account the entire fabrication process on the Nitinol actuator.

Lach, Cynthia L.↗

DOE OSTI2026

Phase Transitions of Eutectic High Entropy Alloy AlCoCrFeNi 2.1 Under Shock Compression

High entropy alloys (HEAs) are a new class of metals that exhibit unique mechanical performance. Among HEAs, additively manufactured eutectic high entropy alloys (AM EHEAs) have recently emerged as candidate materials for use in extreme conditions due to their simultaneous high strength and ductility. However, the deformation and structural evolution of AM EHEAs under conditions of high pressure have not been well characterized, limiting their use in extreme applications. Dynamic compression experiments and molecular dynamics simulations are presented to study the structural evolution of AM EHEA AlCoCrFeNi 2.1 when compressed to pressures up to 400 GPa. In situ X-ray diffraction measurements capture the appearance of face-centered cubic and body-centered cubic phases at different pressure conditions, with pure- and mixed-phase regions. Furthermore, understanding the phase stability and structural evolution of the AM EHEA offers new insights to guide the development of high-performance complex materials for extreme conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Metasurface‐Based Mueller Matrix Microscope

In conventional optical microscopes, image contrast of objects mainly results from the differences in light intensity and/or color. Muller matrix optical microscopes (MMMs), on the other hand, can provide significantly enhanced image contrast and rich information about objects by analyzing their interactions with polarized light. However, state-of-the-art MMMs are fundamentally limited by bulky and slow polarization state generators and analyzers. Here, the study demonstrates a metasurface-based MMM, i.e., Meta-MMM, which is equipped with a chip-integrated, single-shot metasurface polarization state analyzer (Meta-PSA). The Meta-MMM is featured with high-speed measurement (≈2s per Muller matrix (MM) image), superior operation stability, dual-color operation, and high measurement accuracy (measurement error 1–2%) for MM imaging. The Meta-MMM is applied to nanostructure characterization, surface morphology analysis, and discovering birefringent structures in honeybee wings. As a result, the Meta-MMMs hold the promise to revolutionize various applications from biological imaging, medical diagnosis, and material characterization to industry inspection and space exploration.

36 MATERIALS SCIENCE↗

DOE OSTI2017

High‐Energy‐Resolution X‐ray Absorption Spectroscopy for Identification of Reactive Surface Species on Supported Single‐Site Iridium Catalysts

Abstract We report high‐energy‐resolution X‐ray absorption spectroscopy detection of ethylene and CO ligands adsorbed on catalytically active iridium centers isolated on zeolite HY and on MgO supports. The data are supported by density functional theory and FEFF X‐ray absorption near‐edge modelling, together with infrared (IR) spectra. The results demonstrate that high‐energy‐resolution X‐ray absorption spectra near the iridium L III (2p 3/2 ) edge provide clearly ascribable, distinctive signatures of the ethylene and CO ligands and illustrate effects of supports and other ligands. This X‐ray absorption technique is markedly more sensitive than conventional IR spectroscopy for characterizing surface intermediates, and it is applicable to samples having low metal loadings and in reactive atmospheres and is expected to have an increasing role in catalysis research by facilitating the determination of mechanisms of solid‐catalyzed reactions through identification of reaction intermediates in working catalysts.

Hoffman, Adam S.↗

DOE OSTI2018

Ultrafast shock compression of PDMS-based polymers

The shock response of polymers is important for a number of commercial and defense–related applications, but it is difficult to obtain empirical shock response data over the wide range of preparations and aging conditions typically found in such applications. Ultrafast compression is useful to characterize polymer shock response over a wide range of polymer initial conditions due to the high throughput of this method. To establish greater confidence in ultrafast compression experiments and to characterize the detailed shock response of several variations in a single base polymer, the results of sub–nanosecond shock compression experiments in ~5 μm thick layers of the polydimethylsiloxane (PDMS)–based elastomeric rubbers Sylgard–184, SE1700, and an unfilled, end–linked model PDMS network are presented. The results of conventional ultrafast shock etalon measurements to time–of–flight measurements for similar thickness layers of irradiated and unirradiated SE1700 are compared. Here, good agreement between the shock response measured by these two ultrafast shock methods, as well as consistency between ultrafast data and long time scale gas gun data is found.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Flying Blind, or Just Flying Under the Radar? The Underappreciated Power of De Novo Methods of Mass Spectrometric Peptide Identification

Mass spectrometry-based proteomics is a popular and powerful method for precise and highly multiplexed protein identification. The most common method of analyzing untargeted proteomics data is called database searching, where the database is simply a collection of protein sequences from the target organism, derived from genome sequencing. Experimental peptide tandem mass spectra are compared to simplified models of theoretical spectra calculated from the translated genomic sequences. However, in several interesting application areas, such as forensics, archaeology, venomics and others, a genome sequence may not be available, or the correct genome sequence to use is not known. In these cases, de novo peptide identification can play an important role. De novo peptide identification infers peptide sequence directly from the tandem mass spectrum without reference to a sequence database, usually using graph-based or machine learning algorithms. In this review, we provide a basic overview of de novo peptide identification methods and applications, briefly covering de novo algorithms and tools, and focusing in more depth on recent applications from venomics, metaproteomics, forensics, and characterization of antibody drugs.

proteomics, mass spectrometry, forensics, de novo ↗

DOE OSTI2018

Performance and Energy Usage of Workloads on KNL and Haswell Architectures. In: High Performance Computing Systems. Performance Modeling, Benchmarking, and Simulation

Manycore architectures are an energy-efficient step towards exascale computing within a constrained power budget. The Intel Knights Landing (KNL) manycore chip is a specific example of this and has seen early adoption by a number of HPC facilities. It is therefore important to understand the performance and energy usage characteristics of KNL. In this paper, we evaluate the performance and energy efficiency of KNL in contrast to the Xeon (Haswell) architecture for applications representative of the workload of users at NERSC. We consider the optimal MPI/OpenMP configuration of each application and use the results to characterize KNL in contrast to Haswell. As well as traditional DDR memory, KNL contains MCDRAM and we also evaluate its efficacy. Our results show that, averaged over our benchmarks, KNL is 1.84 × more energy efficient than Haswell and has 1.27 × greater performance.

Benchmarking↗

DOE OSTI2015

Investigating the Nexus of Climate, Energy, Water, and Land at Decision-Relevant Scales: The Platform for Regional Integrated Modeling and Analysis (PRIMA)

The Platform for Regional Integrated Modeling and Analysis (PRIMA) is an innovative modeling system developed at Pacific Northwest National Laboratory (PNNL) to simulate interactions among natural and human systems at scales relevant to regional decision making. PRIMA brings together state-of-the-art models of regional climate, hydrology, agriculture, socioeconomics, and energy systems using a flexible coupling approach. The platform can be customized to inform a variety of complex questions and decisions, such as the integrated evaluation of mitigation and adaptation options across a range of sectors. Research into stakeholder decision support needs underpins the platform's application to regional issues, including uncertainty characterization. Ongoing numerical experiments are yielding new insights into the interactions among human and natural systems on regional scales with an initial focus on the energy-land-water nexus in the upper U.S. Midwest. This paper focuses on PRIMA’s functional capabilities and describes some lessons learned to date about integrated regional modeling.

integrated regional modeling↗

DOE OSTI2025

Combining Deep Learning and scatterControl for High-Throughput X-ray CT Based Non-Destructive Characterization of Large-Scale Casted Metallic Components

X-ray computed tomography (XCT) is essential for nondestructive evaluation and quality control of large-scale metal components. XCT imaging, however, faces significant challenges from metal artifacts, particularly those caused by Compton scattering, which degrade image quality and obscure critical details. Hardware-based solutions (e.g. scatterControl) offer advancements by intercepting scattered photons and reducing artifacts, but they can be time-consuming and require additional processing. Here, we propose modifying and leveraging a novel deep learning (DL) framework, Simurgh, to enhance and accelerate scatter correction in XCT. By combining scatterControl with DL-based artifact removal, we demonstrate significant reduction in scan time while producing high-quality reconstructions. Through extensive evaluation on industrial XCT data, we show that our methods reduce scan time by up to more than 10 x while preserving flaw detectability. Quantitative analysis across multiple segmentation techniques confirms that Simurgh-based reconstructions consistently outperform traditional Feldkamp-Davis-Kress, model-based iterative reconstruction, and commercial DL models in both pixel-level and task-specific evaluations, enabling scalable, high-throughput XCT workflows for characterization of large scale components in applications such as casting and metal additive manufacturing.

Complex metal parts↗

DOE OSTI2019

Characterization of tunable electromagnetic band gap material with disordered cavity resonator for X band imaging applications by resistive devices

Electromagnetic band gap (EBG) integrated monopole antenna is investigated in deformed cavity resonator in this study. The operation frequency is chosen as X band frequency regime and designs are completed for this frequency. Firstly, a square grounded monopole antenna is designed and analytically examined, then EBG grounded monopole is designed and tested. After that operation, an 8 cm × 8 cm × 8 cm cubic cavity resonator designed and antennas are examined in it. Moreover, a cuboid deformation is added in one corner of metallic cavity resonator to perturb rectangular eigenmodes. Also, tunability of this structure is tested by various resistive lumped elements, and according to results, resonance shifting and magnitude changes are obtained. This suggested structure is also an adjustable impedance surface and can be used in sensing, detection and microwave imaging applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Nonlinear Resonance Response of Porous Beam-Type Implants Corresponding to Various Morphology Shapes for Bone Tissue Engineering Applications

Having excellent biocompatibility and apatite mineralization as well as efficient mechanical properties makes bredigite as one of the most attractive bioceramics. A beam-type porous biological implant in a 3D-printed architecture is designed with micron pore size. The surface properties, morphology, and size of the composed powders are evaluated using Scherrer and Williamson-Hall equation. The effect of MNPs deposition into the bredigite bioceramics and correlation with temperature effect on roughness of the prepared bio-nanocomposite are also investigated for hyperthermia application potential. The composed powders are characterized by x-ray diffraction, and then scanning electron microscopy (SEM), differential scanning calorimetry, thermogravimetric analysis (weight change, TGA), and atomic force microscopy are utilized to evaluate the surface topography. The resonance response is the tendency of a bone scaffold to respond at prominent amplitude while the frequency of its oscillations is equal to the structure’s natural frequency of vibration. Therefore, based on the obtained mechanical properties via the experimental approach for the bio-nanocomposite material, an analytical solution based upon the multiple-timescale method is carried out to analyze the nonlinear primary resonance of a 3D-printed porous beam-type biological implant under uniform-distributed load. According to SEM observations, there are hard agglomerates in the bredigite-magnetite nanoparticles (Br-MNPs) bio-nanocomposite material with low weight fraction of MNPs. However, they are broken down by increasing the amount of MNPs. Also, it is displayed that for lower MNPs weight fraction, the height of jump phenomenon related to the nonlinear resonance response is maximum and minimum for, respectively, irregular and mesoporous shapes of morphology, but their associated forcing amplitudes related to the bifurcation points are minimum and maximum, respectively.

77 NANOSCIENCE AND NANOTECHNOLOGY↗