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At least 1,315 records · Page 73

Digital bead modeling for wire-arc directed energy deposition

Prediction of 2D cross-section and full 3D geometry for stacked weld beads is critical for the outcome of wire-arc directed energy deposition (DED) parts; however, most additive path planning software packages model beads as extrusions of a rectangle. Weld beads are not rectangular, and the resulting shape is dependent upon physics effects at the moment of deposition. Physics phenomena such as the geometry of the underlying surface, the heat input of the welding mode, and the direction of gravity contribute to bead shape. Here, this paper presents a novel implicit modeling method that discretizes a 2D area or 3D volume of space into pixels or voxels and constructs fields based on these physics phenomena. The fields are combined using a weighting scheme trained on 3D scan measurements of welds and wire-arc DED prints. Pixels or voxels are added until the known amount of deposited volume has been achieved. Thereby, a strong conservation of mass principle is applied to the process. Utilizing machine learning techniques, the present model can be trained on a database of scans allowing for the representation of a wide variety of prints. Results show that this method can produce predictions with realistic bead morphology and sub-millimeter form error.

Bead geometry modeling↗

Threshold behaviors of direct and Hall currents in topological spin-Hall effect

Here we study spin-dependent direct and Hall conductivities in the threshold region of Fermi energy, ε F = 2J, where J is the exchange integral between the conduction electron spins and the skyrmion spin texture. For ε F at the threshold value and above the spin-down electrons are allowed to exist. We find the two in the direct and four narrow peaks in the Hall conductivities for Fermi energies slightly below the threshold value. The found effects are dramatic because the electric current changes by approximately eight times in the narrow range of gate voltages (~4 meV). The values of the peaks strongly depend on skyrmion size. For small and very large skyrmion sizes the peak amplitudes are small compared to the conductivity absolute values. At the skyrmion radius a = 6 nm and very light conduction electrons, m* ~ 10 -2 m e , the extrema are the most pronounced. The temperature evolution reveals the strong smearing effect where the peak-wise behavior completely disappears at room temperatures. Spin transistor could be considered for possible applications where in the narrow region of gate voltage the sharp conductivity change occurs.

36 MATERIALS SCIENCE↗

Surface area and particle size distribution of plutonium oxides derived from the direct oxidation of Pu metal (LA-UR-18-22581)

The intent of this paper is to interrogate the physical characteristics of PuO 2 powders and aggregates produced by direct metal oxidation to examine possible relationships between process parameters and the physical characteristics of the product. The majority of the PuO 2 samples considered were generated during the pre-production and production phases of the Advanced Recovery and Integrated Extraction System (ARIES) program at Los Alamos National Laboratory (LANL). Oxide formed passively on Pu metal surfaces at ambient atmospheric conditions is also characterized. Plutonium oxide powders from the ARIES Direct Metal Oxidation (DMO) furnace and muffle furnace process lines are very consistent in terms of their bulk and tapped density, specific surface area (SSA) and particle size distribution (PSD). The SSAs of calcined PuO 2 generated in the ARIES DMO-2 and muffle furnaces are between 0.1 and 0.5 m2/g. Oxides from both the DMO-2 and muffle furnaces also had similar tri-modal PSDs with maxima at 0.73–3.16 μm, 10.9–18.5 μm, and 41.3–63.0 μm. The PSDs of the oxide formed passively on Pu metal surfaces at ambient conditions were unimodal, with near-Gaussian distributions and D50 close to 1 μm. In conclusion, the oxide formed passively at ambient conditions also had significantly higher SSAs (6–8 m 2 /g).

36 MATERIALS SCIENCE↗

Process-structure-property considerations for wire-based directed energy deposition of Ti-6Al-4V

Directed energy deposition (DED) is an attractive additive manufacturing (AM) process for large structural components. The rapid solidification and layer-by-layer process associated with DED results in non-ideal microstructures, such as large grains with strong crystallographic textures. These non-ideal microstructures can lead to severe anisotropy in the mechanical properties. Despite these challenges, DED has been identified as a potential solution for the manufacturing of near net shape Ti-6Al-4V preforms, replacing lost casting and forging capabilities. Two popular wire-based directed energy deposition (W-DED) processes were considered for the manufacturing of Ti-6Al-4V with assessments on their respective metallurgical and mechanical properties, as compared to a conventionally processed material. The two W-DED processes explored were wire arc additive manufacturing (WAAM) and electron beam additive manufacturing (EBAM). High throughput inspection and tensile testing procedures were utilized to generate statistically relevant data sets related to each process and sample orientation. The 2 AM technologies produced material with remarkably different microstructures and mechanical properties. Importantly, results revealed key differences in strength and ductility for the two disparate processes which were found to be related to differences in the metallurgical properties.

36 MATERIALS SCIENCE↗

Direct measurement of the effective properties of an additively manufactured titanium octet truss unit cell using high energy X-ray diffraction

Additively manufactured lattice structures offer a high specific strength-to-density ratio in comparison to conventional, fully dense parts. The small feature size and intricate geometry of lattice structures make it challenging to directly characterize their mechanical properties. This study presents direct measurement of the elastic mechanical properties of an additively manufactured titanium alloy octet truss unit cell. Strut stress and strain were measured using high-energy X-ray diffraction during quasi-static compressive loading. The crystallographic stress-strain relationship was converted into the stress-strain relationship of the octet truss lattice unit cell using the known symmetry of the struts. The sample studied herein was best fit by an orthorhombic linear elastic stress-strain relationship. In conclusion, this technique shows promise for studying additively manufactured lattice structures at length scales not previously reported.

36 MATERIALS SCIENCE↗

Direct sensitivity analysis on the parameterization of crystal plasticity models

Various methods for calibrating crystal plasticity finite element (CPFE) models lead to non-unique input parameter values, which subsequently introduce uncertainty in the predicted mechanical response. Sensitivity analysis (SA) conducted on crystal plasticity models is used to identify how variability in these parameters contribute to output uncertainty. Traditional SA on CPFE parameters uses simplified surrogate models to save computational time. However, the accuracy of the surrogate models depends on the quantity of training data used, and any modeling error can propagate into the SA results, potentially affecting their reliability. In this work, the elementary effects test (EET) method, a global SA technique using direct CPFE simulations was employed, and the results obtained were compared with the First Order Second Moment (FOSM) method. ExaConstit, an open-source GPU-enabled CPFE code, was used to perform the simulations and direct SA. The EET method was accurately able to capture the non-linear effects of all the input parameters on the output and is a valuable approach for reliably attributing parameter sensitivities in CPFE models. Based on the results, efficient strategies to perform future parameter calibration and SA are discussed. Additionally, the SA trends observed in different single crystal orientations closely mirrored the activity of the slip systems.

Elementary Effects Test↗

Large Propagation-Direction-Dependent Circularly Polarized Emission and Scattering Anisotropies of a Chiral Organic-Inorganic Semiconductor

Chiral materials are important tools for transducing circularly polarized light within many emerging opto-electronic and spin-based technologies. Here, we demonstrate that thin films of a bismuth iodide-based 0D chiral hybrid organic-inorganic semiconductor (HOIS) exhibit large anisotropy values in circularly polarized light emission (CPLE) that approach 50%, with mirror-image responses from front- and back-side measurements. A comprehensive analysis of light-wave propagation, absorption, emission, and scattering is constructed on the basis of a symmetry-derived exciton fine structure model, which accurately describes the direction and polarization dependence of the observed excitonic circular dichroism and CPLE, including contributions from both photoluminescence and resonant Raman scattering. Our analysis indicates that molecular chirality drives preferential film alignment with respect to the out-of-plane lattice vector direction, producing the observed anisotropies. This first demonstration in an HOIS system provides a unique route for enhancing polarization-dependent emission, and circularly polarized light transduction more broadly, in self-assembled HOIS.

14 SOLAR ENERGY↗

Accurately measuring the ionic conductivity of membranes via the direct contact method

Accurately measuring the ionic conductivity of membranes is important both for assessing the performance of new membranes as well as for advancing the fundamental understanding of electric field-driven ion transport in membranes. Yet, despite a considerable number of reports on the topic, there is no standardized method for ionic conductivity measurements. One of the main challenges with ionic conductivity measurements is isolating the membrane resistance from the other resistances in the electrochemical cell. In this study, we present a detailed discussion of factors that affect ionic conductivity measurements with the commonly used direct contact method, in which the membrane contacts the electrodes. Such factors include external resistances due to imperfect contact between the membrane and electrodes, residual impedances due to the sample holder and wiring, and fringe effects. Further, we also present and validate simple methods for isolating the true membrane ionic conductivity in both the through-plane and in-plane orientations. These methods can be implemented with virtually any membrane to obtain accurate and reproducible ionic conductivity values. Finally, we outline recommendations for performing ionic conductivity measurements with the direct contact method and a set of parameters to verify when reporting these results.

36 MATERIALS SCIENCE↗

Synthesis of PHI-type zeolite harmotome using barium as an inorganic structure-directing agent inspired from natural mineral compositions

Zeolites are nanoporous aluminosilicates widely used as commercial adsorbents, heterogeneous catalysts, and ion-exchange materials due to their unique porosity, acidity, and thermal stability. The vast majority of synthetically-realized zeolite structures are prepared under hydrothermal conditions in alkaline media, and often in the presence of an organic structure-directing agent that facilitates the crystallization of diverse porous networks. Due to economic and environmental disadvantages of organic-based syntheses, it is often desirable to produce zeolites in organic-free media using alkali metal ions as the most commonly employed inorganic structure-directing agents (ISDAs). Here, in this study, we were inspired by the elemental compositions of natural zeolite minerals to examine the use of an alkaline earth metal ion as the ISDA to prepare zeolites with the PHI framework type. Two natural minerals exhibiting this crystal structure are phillipsite and harmotome. Both structures contain sodium and potassium as extra-framework cations, but only harmotome contains barium cations. Here we examined how the combination of alkali and alkaline earth ISDAs promote the formation of PHI-type zeolites. Our findings reveal that each isostructure is prepared under different synthesis conditions where simply adding barium to a growth mixture does not always lead to harmotome formation. Harmotome is formed in more dilute and alkaline growth media; however, time-resolved analyses of zeolite crystallization reveal that harmotome can be synthesized at low temperatures (ca. 65 °C) with rates that are 5-times faster than syntheses of phillipsite. This seemingly indicates that barium reduces the energetic barrier for PHI-type zeolite nucleation in ways that are not fully understood. Moreover, harmotome crystals exhibit an average particle size of ca. 60 nm, which is nearly 40-fold smaller than phillipsite crystals prepared under similar conditions. Collectively, these findings identify routes to control crystallization of PHI-type zeolites and may provide a broader strategy for using the composition of natural zeolite minerals to optimize the preparation of synthetic analogues.

36 MATERIALS SCIENCE↗

Simulation study of high-current 7 Li 3+ beam acceleration with laser ion source and RFQ linac using direct plasma injection

Accelerator-based neutron sources (ABNS) utilizing the 7 Li(p,n) 7 Be reaction in inverse kinematics offer strong forward-directed neutron emission, making them attractive for compact and clean neutron source with low background neutrons and unwanted radiation. However, practical use of such systems requires lithium ion beam currents that exceed the capability of conventional ion accelerators by two orders of magnitude. In this study, we numerically designed and evaluated a high-current acceleration system based on a direct plasma injection scheme (DPIS), combining a laser ion source (LIS) and a radio-frequency quadrupole (RFQ) linac. The ion extraction optics and RFQ entrance were optimized using IGUN, OPERA, and GPT, demonstrating that over 1.2 A-class beam current can be injected into the RFQ. The RFQ structure was designed under realistic engineering constraints including surface field strength (Kilpatrick factor) and RF power. GPT simulations showed that a 370 mA 7 Li 3+ beam can be successfully accelerated within a ±10 % energy spread. To validate downstream compatibility, we also designed a simplified medium-energy beam transport (MEBT) section and an interdigital H-type (IH) linac, confirming successful acceleration of a 320 mA beam to the total energy of 14 MeV. These results support the feasibility of the DPIS and RFQ approach as a promising solution for compact neutron sources and other high-intensity ion beam applications.

43 PARTICLE ACCELERATORS↗

Direct ink write fabrication of transparent ceramic gain media

Solid-state laser gain media based on the garnet structure with two spatially distinct but optically contiguous regions have been fabricated. Transparent gain media comprised of a central core of Y 2.97 Nd 0.03 Al 5.00 O 12.00 (Nd:YAG) and an undoped cladding region of Y 3 Al 5 O 12 (YAG) were fabricated by direct ink write and transparent ceramic processing. Direct ink write (DIW) was employed to form the green body, offering a general route to preparing functionally structured solid-state laser gain media. Lastly, fully-dense transparent optical ceramics in a “top hat” geometry with YAG/Nd:YAG have been fabricated by DIW methods with optical scatter at 1064 nm of <3%/cm.

(140.3580) Lasers↗

Nuclear physics without high-momentum potentials: Constructing the nuclear effective interaction directly from scattering observables

The traditional approach to nuclear physics encodes phase shift information in a nucleon-nucleon (NN) potential, producing a nucleon-level interaction that captures the sub-GeV consequences of QCD. A further reduction to the nuclear scale is needed to produce an effective interaction for soft Hilbert spaces, such as those employed in the shell model. Here we describe an alternative construction of the effective interaction that is simple and quite precise, proceeding from the QCD scale directly to the nuclear scale. This eliminates the need for constructing and renormalizing the high-momentum NN potential. Instead, continuum phase shifts and mixing angles are used directly at the nuclear scale. The method exploits the analytic continuity in energy of HOBET (Harmonic-Oscillator-Based Effective Theory) to connect bound states to continuum solutions at specific energies. The procedure is systematic, cutoff independent, and convergent, yielding keV accuracy at NNLO or N 3 LO, depending on the channel. Lepage plots are provided.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Direct ab initio calculation of the 4 He nuclear electric dipole polarizability

The calculation of nuclear electromagnetic sum rules by directly diagonalizing the nuclear Hamiltonian in a large basis is numerically challenging and has not been performed for A>2 nuclei. With the significant progress of high performance computing, we show that calculating sum rules using numerous discretized continuum states obtained by directly diagonalizing the ab initio no-core shell model Hamiltonian is achievable numerically. Specifically, we calculate the 4 He electric dipole (E1) polarizability, that is an inverse energy weighted sum rule, employing the Daejeon16 NN interaction. We demonstrate that the calculations are numerically tractable as the dimension of the basis increases and are convergent. Our results for the 4 He electric dipole polarizability are consistent with the most recent experimental data and are compared with those of other theoretical studies employing different techniques and various interactions.

Astronomy & Astrophysics↗

Directed flow from parton spin-orbit coupling in $pp$ and $pA$ collisions

We point out a novel mechanism to generate cos φ two-particle azimuthal correlation (‘directed flow’) in unpolarized proton-proton and proton-nucleus collisions in the forward rapidity region of the projectile proton. This is a direct consequence of the recently discovered strong spin-orbit coupling in gluons at small-x. The observable simultaneously serves as a unique probe into the double helicity parton distribution functions of the proton.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The emerging field of block copolymer self-assembly-directed quantum materials

The area of functional materials derived from block copolymers (BCPs) as structure-directing agents for various inorganic materials has seen substantial growth as a result of the immense scientific as well as technological promise associated with such hybrid materials. Further, the convergence of BCP self-assembly with the fast-growing field of quantum materials now promises solution-based synthetic approaches to classes of materials that to date are dominated by stringent high-vacuum physical deposition techniques and bulk solid state chemical reactions. Moreover, the ensuing periodic nano- and mesostructures, a characteristic of BCP self-assembly, offer a unique platform for manipulating quantum-level properties, in turn resulting in substantial changes of macroscopic properties. This article will make a case for, review the existing work of, and provide our perspectives on this emerging field of block copolymer self-assembly directed quantum materials.

36 MATERIALS SCIENCE↗

Water reuse for sustainable microalgae cultivation: current knowledge and future directions

Microalgae hold great promise as environmentally sustainable sources of food, animal feed, and fuel. However, large amounts of water are used during microalgae cultivation and this negatively impacts economic viability and environmental sustainability. Reusing cultivation water can reduce the direct impacts of water usage and also reduce nutrient requirements and algal wastewater treatment. However, studies have shown that algae growth in reused water can be compromised, unaffected, or sometimes enhanced compared to controls. This review examines recent studies on water reuse to qualitatively understand these varied effects. Growth inhibitors and stimulators in reused water and their underlying mechanisms are discussed, as well as recent pre-treatment technologies and factors affecting the quality of reused water, such as microalgae taxa, culture conditions, and harvesting methods, are considered. A scheme is proposed for water reuse and harvesting methods based on the desired algal end products. Finally, taking these findings together, here we provide recommendations for further research directions as well as new insights into designing and integrating a cultivation strategy with a harvesting platform to reuse water for more efficient microalgae cultivation.

42 ENGINEERING↗

Alloying induces directionally-dependent mobility and alters migration mechanisms of faceted grain boundaries

Faceted grain boundaries exhibit unusual segregation and migration tendencies. To gain a deeper understanding of how solute atoms interact with faceted interfacial structures during migration, this study probes the migration behavior of a faceted Σ11 boundary in Cu doped with Ag atoms. Furthermore, the solutes are found to segregate to the facet with more free volume and strongly reduce boundary velocity in one migration direction, but not the other, due to the presence of a directionally-dependent motion mechanism that can escape solute pinning and therefore speed up migration. Hence, a new mechanism of chemically-induced anisotropy in grain boundary mobility is uncovered by these simulations.

36 MATERIALS SCIENCE↗

Characterizing defect structures in AM steel using direct electron detection EBSD

The mechanical properties of additive and traditionally manufactured alloys are largely dependent on the characteristics and distribution of dislocation cell networks that develop during the fabrication process. This work demonstrates the ability to quantitatively characterize these dislocation structures by high angular resolution electron backscatter diffraction analysis using a direct electron detector. The defect structures are characterized in terms of the geometrically necessary dislocation density and the associated Burgers vector and line direction. Furthermore, the results are discussed in terms of potential defect formation mechanisms.

36 MATERIALS SCIENCE↗