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At least 793 records · Page 44

From Structured Solvents to Hybrid Materials (SS2HM) for Chemically Selective Capture and Electromagnetic Release of CO 2 : Mechanisms, Stability and Interfaces (Final Report)

The goal of this research program was to develop high capacity sorbents amenable for alternative regeneration approaches for direct air capture (DAC) of CO 2 . In particular, the research aimed to develop an understanding of CO 2 binding mechanism, thermal and oxidative stability, and regeneration energetics of functionalized ionic liquids (ILs), deep eutectic solvents (DESs), and porous materials. ILs and DESs are high-dielectric solvents with structural tunability that permits the rational-design for energy-efficient regeneration approaches based on electromagnetic (EM) field and moisture-swing. By further incorporating these solvents into polymeric capsules and other structural supports, multi-scale interfaces for targeted CO 2 and energy transfers were achieved. Aspects related to CO 2 capacity, selectivity, stability, dielectric properties, and binding energies were examined through experimental and computational design to identify molecular descriptors to inform future design of structured solvents and hybrid materials for DAC. Enclosed final report details the key findings, science advancements, and workforce development efforts from this project.

36 MATERIALS SCIENCE↗

Enhancement of γ/γ’ Microstructured Cobalt Superalloys Produced from Atomized Powder by Creating a Harmonic Structure

A material’s properties must be continuously improved to meet the demands of extreme conditions in high-temperature applications. It is demonstrated that γ-γ’ Co-based superalloys could surpass the yield stress of Ni-based superalloys at high temperature due to the γ-γ’ structure. The powders were subjected to a harmonic modification in order to refine the grain structure on the surface and to activate the sintering process. This study examines how harmonic structure affects microstructure and mechanical properties at high temperatures. Spark Plasma Sintering (SPS) was used for consolidation to maintain the ultrafine grain size microstructure of the powder. Compression tests were conducted from room temperature (RT) to 750 °C to assess the mechanical properties of the material. Yield stress values obtained from harmonic structures are four times higher than those obtained from cast alloys.

36 MATERIALS SCIENCE↗

Methods of forming structures and fissile fuel materials by additive manufacturing

A method of forming one or more structures by additive manufacturing comprises introducing a first layer of a powder mixture comprising graphite and a fuel on a surface of a substrate. The first layer is at least partially compacted and then exposed to laser radiation to form a first layer of material comprising the fuel dispersed within a graphite matrix material. At least a second layer of the powder mixture is provided over the first layer of material and exposed to laser radiation to form inter-granular bonds between the second layer and the first layer. Related structures and methods of forming one or more structures are also disclosed.

36 MATERIALS SCIENCE↗

Solvent-free production of carbon materials with developed pore structure from biomass for high-performance supercapacitors

The study aimed at preparing porous carbon materials, with superhydrophilic characteristics and developed micro/mesoporous structure (CSB-800), from corn stover by a solvent-free method including pre-carbonization, ball milling, and activation. The effect of pre-carbonization, ball milling on the detailed structural composition and properties especially the hydrophilicity and porous structures were studied, and the potential application of CSB-800 as electrode in supercapacitors was also investigated. The results revealed that pre-carbonization increased the accessibility of raw materials as well as the efficiency of the ball milling with KOH, leading to small carbon particles with good dispersion behavior. Ball milling promoted the porosity, surface energy, hydrophilicity, crystallinity, and graphitization of the carbon materials. CSB-800 exhibited a high specific surface area of 2440.6 m 2 /g with developed micro and porous structures. The heteroatom nitrogen formed nitrogen-containing groups of N Q and N X, which provided faradaic pseudocapacitance when CSB-800 was used as an electrode material, and this material presented a specific capacitance of 398 F/g at 0.5 A/g in 1 M H 2 SO 4 electrolyte in a three-electrode system, while the value was 243 F/g in a two-electrode system, and the energy density reached 5.01 Wh/kg at a power density of 100 W/kg.

09 BIOMASS FUELS↗

High-entropy engineering of the crystal and electronic structures in a Dirac material

Dirac and Weyl semimetals are a central topic of contemporary condensed matter physics, and the discovery of new compounds with Dirac/Weyl electronic states is crucial to the advancement of topological materials and quantum technologies. Here we show a widely applicable strategy that uses high configuration entropy to engineer relativistic electronic states. We take the A MnSb 2 ( A = Ba, Sr, Ca, Eu, and Yb) Dirac material family as an example and demonstrate that mixing of Ba, Sr, Ca, Eu and Yb at the A site generates the compound (Ba 0.38 Sr 0.14 Ca 0.16 Eu 0.16 Yb 0.16 )MnSb 2 (denoted as A 5 MnSb 2 ), giving access to a polar structure with a space group that is not present in any of the parent compounds. A 5 MnSb 2 is an entropy-stabilized phase that preserves its linear band dispersion despite considerable lattice disorder. Although both A 5 MnSb 2 and A MnSb 2 have quasi-two-dimensional crystal structures, the two-dimensional Dirac states in the pristine A MnSb 2 evolve into a highly anisotropic quasi-three-dimensional Dirac state triggered by local structure distortions in the high-entropy phase, which is revealed by Shubnikov–de Haas oscillations measurements.

36 MATERIALS SCIENCE↗

Containers and refractory metal coating therefore for containing radioactive materials

Fabricating structural components for a spent nuclear fuel container using the steps of forming cylindrical or rectangular channels to produce a structural component for a spent nuclear fuel container and applying a coating that includes tantalum-based material to the cylindrical or rectangular channels.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development and construction status of the Mu2e electromagnetic calorimeter mechanical structures

Abstract The Mu2e experiment at Fermilab will search for the CLFV neutrino-less coherent conversion of a muon into an electron in the field of an aluminum nucleus. The observation of this process would be the evidence of physics beyond the Standard Model. Mu2e comprises a straw-tracker, an electromagnetic calorimeter and an external veto for cosmic rays. The calorimeter provides electron identification, a fast trigger and aids track reconstruction. It is a state-of-the-art crystal calorimeter and employs 1340 pure CsI crystals readout by UV-extended SiPM and fast electronics. The design consists of two identical annular disks positioned at the relative distance of 70 cm downstream the target.The hostile Mu2e conditions (total ionizing dose of 12 krad and a neutron fluence of 5 × 10 10 n/cm 2 @ 1 MeVeq (Si)/y, 1 T magnetic field and vacuum level of 10 −4 Torr) posed tight constraints on the mechanical structures and materials choice. The support structure of the two crystal matrices employs two aluminum hollow rings and parts made of open-cell vacuum-compatible carbon fiber. SiPMs and front-end electronics for each crystal are assembled in one mechanical unit inserted in a machined copper holder. The units are supported by a plate made of vacuum-compatible material. The plate integrates the cooling system made of a network of copper lines flowing a low temperature fluid and placed in thermal contact with the copper holders. The DAQ is hosted in aluminum crates positioned on the lateral surface of the disks. The crates also integrate the DAQ electronics cooling system. We review the constraints on the calorimeter structures design, the development of all the structural components, including the simulations that have determined the materials and technological choices and the specifications of the cooling station, components production and quality assurance tests, the procedures for detector assembly, transportation and installation in the experimental area.

Instruments & Instrumentation↗

Anomalous contrast in broadband THz near-field imaging of gold microstructures

THz scattering-type scanning near-field microscopy (s-SNOM) has become a powerful technique for measuring carrier dynamics in nanoscale materials and structures. Changes in a material’s local THz reflection or transmission can be correlated to changes in electrical conductivity. Here, we perform tip-based THz nano-imaging of subwavelength gold nanostructures and demonstrate image contrast unrelated to any spatially varying material properties. We show that the specific physical configuration of the gold structures can have a strong influence on local excitations which can obscure the sample’s true dielectric response, even in cases where the relevant structures are far outside of the spatial region probed by the AFM tip.

47 OTHER INSTRUMENTATION↗

Structurally ordered nanoparticles, methods and applications

Embodiments provide a nanoparticle and a method for preparing the nanoparticle, as well as a membrane that includes the nanoparticle and a fuel cell that includes the membrane. The method comprises a thermal treatment method that provides from a nanoparticle comprising a structurally disordered material the nanoparticle comprising: (1) a structurally ordered core comprising a first material; and (2) a shell surrounding and further structurally aligned with the structurally ordered core and comprising a second material different from the first material. Particularly desirable is a nanoparticle comprising a Pt3Co@Pt/C structurally ordered core-shell composition supported upon a carbon support.

Abruna, Hector D.↗

THE IMPACT OF VISCOSITY ON MATERIAL TRANSITIONS IN LARGE FORMAT ADDITIVE MANUFACTURING OF POLYMER COMPOSITES

The need to produce complex geometries incompatible with traditional manufacturing techniques has fueled rapid growth in Large-Format Additive Manufacturing (LFAM). Printing of polymer composite materials have generated significant interest, but the production of Multi-Material (MM) structures with location-based material properties continues to be a challenge. Extrusion-based techniques have utilized multiple deposition heads to successfully print MM structures with both stiff and flexible regions, but these techniques often result in discrete material boundaries that concentrate stress and act as failure points. To avoid discrete interfaces, a novel dual-hopper configuration was developed for the Big Area Additive Manufacturing (BAAM) system that creates a blended material region within the structure. The ability to blend and freely switch between stiff polymer composites and flexible polymers enables printing of robust MM structures with site-specific properties. This study characterizes the influence of viscosity on a blended material transition between carbon fiber-filled acrylonitrile butadiene styrene (CF-ABS) and unfilled thermoplastic polyurethane (TPU), which have significantly different viscoelastic behaviors

Brackett, James↗

Experimental discovery of structure–property relationships in ferroelectric materials via active learning

Emergent functionalities of structural and topological defects in ferroelectric materials underpin an extremely broad spectrum of applications ranging from domain wall electronics to high dielectric and electromechanical responses. Many of these functionalities have been discovered and quantified via local scanning probe microscopy methods. However, the search has until now been based on either trial and error, or using auxiliary information such as the topography or domain wall structure to identify potential objects of interest on the basis of the intuition of operator or pre-existing hypotheses, with subsequent manual exploration. Here we report the development and implementation of a machine learning framework that actively discovers relationships between local domain structure and polarization-switching characteristics in ferroelectric materials encoded in the hysteresis loop. The hysteresis loops and their scalar descriptors such as nucleation bias, coercive bias and the hysteresis loop area (or more complex functionals of hysteresis loop shape) and corresponding uncertainties are used to guide the discovery of these relationships via automated piezoresponse force microscopy and spectroscopy experiments. As such, this approach combines the power of machine learning methods to learn the correlative relationships between high-dimensional data, as well as human-based physics insights encoded into the acquisition function. For ferroelectric materials, this automated workflow demonstrates that the discovery path and sampling points of on- and off-field hysteresis loops are largely different, indicating that on- and off-field hysteresis loops are dominated by different mechanisms. Here, the proposed approach is universal and can be applied to a broad range of modern imaging and spectroscopy methods ranging from other scanning probe microscopy modalities to electron microscopy and chemical imaging.

36 MATERIALS SCIENCE↗

Assessing the viability of a new subsize tensile specimen geometry for evaluation of structural nuclear and additively manufactured materials

The use of subsize specimens in nuclear materials testing has been a subject of ongoing interest due to radiation safety concerns and resource conservation needs. It is also of interest in additive manufacturing (AM), also known as 3D-printing, as subsize specimens can more accurately represent the behavior of the small, intricate geometries often produced using AM. A novel, extremely small geometry, called the Subsize Teeny (SST) was recently developed and is of interest for implementation. Given its extraordinarily small size and the complexities associated with subsize specimen testing, adequate vetting of this geometry is necessary to ensure data quality. Here, a variety of unirradiated nuclear structural materials were tested in the SST geometry and compared against the well-established SSJ3 geometry. In addition, two case studies implementing the SST as a screening geometry for AM materials were also conducted. The question of SST viability was found to be highly nuanced and will often be dependent on the context or application in question. It was determined, however, that the SST is a largely invalid geometry for exceptionally coarse-grained materials or in cases where the physical defect volume equals or exceeds 0.1 % or where the specimen machining parameters result in significant surface alterations. On the other hand, it was determined that the SST may be employed with confidence if the test material is nearly or totally free of physical defects, isotropic, demonstrates homogeneous plastic deformation, and possesses a fine-grained, nearly or totally homogeneous microstructure with at least twelve slip systems.

Additive manufacturing↗

Design and assembling status of the Mu2e electromagnetic calorimeter mechanical structures

The muon-to-electron conversion (Mu2e) experiment at Fermilab will search for the Charged Lepton Flavour Violating neutrino-less coherent conversion of a muon into an electron in the field of an aluminum nucleus. The observation of this process would be the unambiguous evidence of physics beyond the Standard Model. The detector has been designed as a state-of-the-art crystal calorimeter and employs 1348 pure Cesium Iodide (CsI) crystals readout by UV-extended silicon photosensors and fast front-end and digitization electronics. A design consisting of two identical annular matrices (named disks ) positioned at the relative distance of 70 cm, downstream the aluminum target along the muon beamline, satisfies the Mu2e physics requirements. The hostile Mu2e operational conditions, in terms of radiation levels (total ionizing dose of 12 krad and a neutron fluence of 5 10^{10} n/cm2 @ 1 MeVeq (Si)/y), magnetic field intensity (1 T) and vacuum level (10−4 Torr) have posed tight constraints on the design of the detector mechanical structures and materials choice. The support structure of the two 674 crystal matrices employs two aluminum hollow rings and parts made of open- cell vacuum-compatible carbon fiber. The photosensors and service front-end electronics for each crystal are assembled in a unique mechanical unit inserted in a machined copper holder. The 674 units are supported by a machined plate made of vacuum-compatible plastic material. The plate also integrates the cooling system made of a network of copper lines flowing a low temperature radiation-hard fluid and placed in thermal con- tact with the copper holders. The data acquisition electronics is hosted in aluminum custom crates positioned on the external lateral surface of the two disks. The crates also integrate the electronics cooling system. In this poster we will review the constraints on the calorimeter mechanical structures, the technological choices, and the status of assembling at Fermilab.

Pasciuto, D.↗

Development, construction and qualification tests of the mechanical structures of the electromagnetic calorimeter of the Mu2e experiment at Fermilab

The “muon-to-electron conversion” (Mu2e) experiment at Fermilab will search for the Charged Lepton Flavour Violating neutrino-less coherent conversion of a muon into an electron in the field of an aluminum nucleus. The observation of this process would be the unambiguous evidence of physics beyond the Standard Model. Mu2e detectors comprise a straw-tracker, an electromagnetic calorimeter and an external veto for cosmic rays. The calorimeter provides excellent electron identification, complementary information to aid pattern recognition and track reconstruction, and a fast calorimetric online trigger. The detector has been designed as a state-of-the-art crystal calorimeter and employs 1340 pure Cesium Iodide (CsI) crystals readout by UV-extended silicon photosensors and fast front-end and digitization electronics. A design consisting of two identical annular matrices (named “disks”) positioned at the relative distance of 70 cm downstream the aluminum target along the muon beamline satisfies the Mu2e physics requirements.The hostile Mu2e operational conditions, in terms of radiation levels (total ionizing dose of 12 krad and a neutron fluence of 5x1010 n/cm2 @ 1 MeVeq (Si)/y), magnetic field intensity (1 T) and vacuum level (10$^{-4}$ Torr) have posed tight constraints on the design of the detector mechanical structures and materials choice. The support structure of the two 670 crystal matrices employs two aluminum hollow rings and parts made of open-cell vacuum-compatible carbon fiber. The photosensors and service front-end electronics for each crystal are assembled in a unique mechanical unit inserted in a machined copper holder. The 670 units are supported by a machined plate made of vacuum-compatible plastic material. The plate also integrates the cooling system made of a network of copper lines flowing a low temperature radiation-hard fluid and placed in thermal contact with the copper holders to constitute a low resistance thermal bridge. The data acquisition electronics is hosted in aluminum custom crates positioned on the external lateral surface of the two disks. The crates also integrate the electronics cooling system as lines running in parallel to the front-end system.The constraints on the calorimeter mechanical structures design, the development from the conceptual design to the specifications of all the structural components, the status of components production and the components quality assurance tests are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Frontal polymerization of thermosets to enable vacuum-formed structural electronics

Material design and accessible manufacturing are often at odds with each other, calling for creative solutions to adapt high-performance materials to available processes. This challenge is represented well by in-mold electronics, an innovative approach to the manufacture of 3D circuitry and electronic components that offers game-changing advantages. In-mold electronics relies on vacuum forming processes, which are historically limited to thermoplastics. Extending these methods to include thermosets would enable manufacturing of robust components with desirable properties. Here, we provide a solution to make thermoset materials amenable to vacuum forming. Specifically, an ambient polymerization is used to transition a liquid monomeric solution to an elastomeric gel. These free-standing gels can then be vacuum formed, and the reaction can be completed via frontal polymerization. Thermoset materials produced with this method have properties that provide benefits over traditionally employed thermoplastic substrates and enable 3D device integration into environmentally demanding architectural, automotive, and extraterrestrial structures.

Fowler, Hayden Elise [Sandia National Laboratories↗