Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “stacking modes”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2

Properties of Nb x Ti (1–x) N thin films deposited on 300 mm silicon wafers for upscaling superconducting digital circuits

Scaling superconducting digital circuits requires fundamental changes in the current material set and fabrication process. The transition to 300 mm wafers and the implementation of advanced lithography are instrumental in facilitating mature CMOS processes, ensuring uniformity, and optimizing the yield. Here, this study explores the properties of Nb x Ti (1–x) N films fabricated by magnetron DC sputtering on 300 mm Si wafers. As a promising alternative to traditional Nb in device manufacturing, Nb x Ti (1–x) N offers numerous advantages, including enhanced stability and scalability to smaller dimensions, in both processing and design. As a ternary material, Nb x Ti (1–x) N allows engineering material parameters by changing deposition conditions. The engineered properties can be used to modulate device parameters through the stack and mitigate failure modes. We report characterization of Nb x Ti (1–x) N films at less than 2% thickness variability, 2.4% T c variability and 3% composition variability. Film resistivity (140–375 Ωcm) shows a strong correlation with the film oxygen content, while the critical temperature T c (4.6 K–14.1 K) is strongly affected by film stoichiometry and its microstructure has only a moderate effect on modifying T c . Our results offer insights about the interplay between film stoichiometry, film microstructure and critical temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A flexible proton beam imaging energy spectrometer (PROBIES) for high repetition rate or single-shot high energy density (HED) experiments (invited)

The PROBIES diagnostic is a new, highly flexible, imaging and energy spectrometer designed for laser-accelerated protons. The diagnostic can detect low-mode spatial variations in the proton beam profile while resolving multiple energies on a single detector or more. When a radiochromic film stack is employed for “single-shot mode,” the energy resolution of the stack can be greatly increased while reducing the need for large numbers of films; for example, a recently deployed version allowed for 180 unique energy measurements spanning ~3 to 75 MeV with <0.4 MeV resolution using just 20 films vs 180 for a comparable traditional film and filter stack. When utilized with a scintillator, the diagnostic can be run in high-rep-rate (>Hz rate) mode to recover nine proton energy bins. Here, we also demonstrate a deep learning-based method to analyze data from synthetic PROBIES images with greater than 95% accuracy on sub-millisecond timescales and retrained with experimental data to analyze real-world images on sub-millisecond time-scales with comparable accuracy.

3D printing↗

Accelerating full-waveform inversion using source stacking: synthetic experiments at the global scale in a realistic 3-D earth model

SUMMARY The spectral element method is currently the method of choice for computing accurate synthetic seismic wavefields in realistic 3-D earth models at the global scale. However, it requires significantly more computational time, compared to normal mode-based approximate methods. Source stacking, whereby multiple earthquake sources are aligned on their origin time and simultaneously triggered, can reduce the computational costs by several orders of magnitude. We present the results of synthetic tests performed on a realistic radially anisotropic 3-D model, slightly modified from model SEMUCB-WM1 with three component synthetic waveform ‘data’ for a duration of 10 000 s, and filtered at periods longer than 60 s, for a set of 273 events and 515 stations. We consider two definitions of the misfit function, one based on the stacked records at individual stations and another based on station-pair cross-correlations of the stacked records. The inverse step is performed using a Gauss–Newton approach where the gradient and Hessian are computed using normal mode perturbation theory. We investigate the retrieval of radially anisotropic long wavelength structure in the upper mantle in the depth range 100–800 km, after fixing the crust and uppermost mantle structure constrained by fundamental mode Love and Rayleigh wave dispersion data. The results show good performance using both definitions of the misfit function, even in the presence of realistic noise, with degraded amplitudes of lateral variations in the anisotropic parameter ξ. Interestingly, we show that we can retrieve the long wavelength structure in the upper mantle, when considering one or the other of three portions of the cross-correlation time series, corresponding to where we expect the energy from surface wave overtone, fundamental mode or a mixture of the two to be dominant, respectively. We also considered the issue of missing data, by randomly removing a successively larger proportion of the available synthetic data. We replace the missing data by synthetics computed in the current 3-D model using normal mode perturbation theory. The inversion results degrade with the proportion of missing data, especially for ξ, and we find that a data availability of 45 per cent or more leads to acceptable results. We also present a strategy for grouping events and stations to minimize the number of missing data in each group. This leads to an increased number of computations but can be significantly more efficient than conventional single-event-at-a-time inversion. We apply the grouping strategy to a real picking scenario, and show promising resolution capability despite the use of fewer waveforms and uneven ray path distribution. Source stacking approach can be used to rapidly obtain a starting 3-D model for more conventional full-waveform inversion at higher resolution, and to investigate assumptions made in the inversion, such as trade-offs between isotropic, anisotropic or anelastic structure, different model parametrizations or how crustal structure is accounted for.

Geochemistry & Geophysics↗

Bridging the Void: Halogen Bonding and Aromatic Interactions to Program Luminescence and Electronic Properties of π -Conjugated Materials in the Solid State

π-Conjugated materials are promising candidates for emerging organic optoelectronic devices empowered by molecular design. The unsolved challenges of predicting and controlling their packing as solids, central to their properties and performance, currently limits their practical application. As noncovalent interactions drive packing, control over such interactions are critical to bridging from chemical structure to functional properties. In molecular crystals, halogen bonding and interactions of aromatic rings have emerged as versatile tools for noncovalent control with tailored luminescence and electronic properties. Here, we describe how the interplay of these directional and tunable interactions can engineer properties, including stimuli-responsive behavior. Specifically, halogen bonding can provide robust designs for directing 2D molecular assembly, whereas the intentional interactions of aromatic rings can yield metastable, switchable packing modes, as well as programmed stacking between layers of chromophores. Examples, herein, demonstrate clear relationships between assembly by design and resulting solid-state properties, and strategies presented offer guidance for future designs of π-conjugated molecular materials using specific aromatic interactions and halogen bonding.

36 MATERIALS SCIENCE↗

Atomistic and phase field simulations of three dimensional interactions of {$10\bar12$} twins with grain boundaries in Mg: twin transmission and dislocation emission

In polycrystals, the interaction of dislocations and twins with grain boundaries (GBs) plays a role in hardening and formability during plastic deformation. While dislocation-GB interactions are relatively well-understood, twin-GB interactions remain mostly unknown. In this work, an approach using molecular dynamics and phase-field simulations is followed to study the forward and lateral interactions between {$10\bar12$} twins and tilt grain boundaries in Mg. Molecular dynamics results show that the resolved shear stress on slip/twinning modes of the neighboring grain, not the geometric alignment, is the dominant factor in determining the outcome of the twin-GB interactions. For some lateral interaction configurations, as the misorientation angle increases, the resolved shear stress on the same {$10\bar12$} twin variant of the neighboring grain reduces while it increases for slip or I 2 stacking fault emissions or other twin modes such as {$11\bar12$} and {$10\bar11$}, explaining why twin transmission is not seen at high misorientation angles. Furthermore, lateral and forward interactions of the twin with tilt grain boundaries whose misorientation axes are normal to the coherent twin boundary show significantly different outcomes. For the forward interaction, the twin is absorbed and stacking faults are emitted when interacting for low misorientation angles (up to 30°) while the lateral interaction results in twin transmission, nucleation of a {$11\bar12$} twin, and emission of I 2 stacking faults. Finally, comparisons between twin interactions with symmetric and asymmetric tilt GBs with different GB structures show similar outcomes.

36 MATERIALS SCIENCE↗

Orientation dependence of the effect of short-range ordering on the plastic deformation of a medium entropy alloy

Multi-principal-element alloys (also known as medium and high entropy alloys) offer a much larger and richer design space than conventional alloys, providing opportunities for discovering new functionalities and their governing physics. Some of these alloys exhibit an outstanding combination of high strength and ductility, linked to the activation of various deformation modes triggered by low-energy stacking faults. However, a pressing question remains: Is the plasticity of medium- and high-entropy alloys governed only by stacking fault energy, or does atomic short-range order (SRO) play a role? Here, to answer this, we investigated how SRO affects the deformation in single-crystalline NiCoCr, with previous contradictory findings. First, we established unique experimental evidence for SRO formation in bulk single crystals using high-energy synchrotron transmission X-Ray Diffraction. By tuning the degree of SRO by aging at high temperatures, twinning density and strain-induced martensitic phase transformation can be significantly increased in the [110] and [111] orientations under tension, increasing the tensile ductility; yet, no increase was observed along the [001] orientation due to lack of TWinning-Induced Plasticity (TWIP) or TRansformation-Induced Plasticity (TRIP), indicating a strong crystallographic orientation dependence. Our first-principles thermodynamic calculations unequivocally show SRO exists and governs the observed microstructural evolution and deformation hardening behavior. Here we find direct proof that SRO triggers a simultaneous TWIP and TRIP in NiCoCr, a rare microstructural evolution path. Our findings establish that the interplay of SRO and plasticity could be exploited to alter deformation modes and yield unprecedented mechanical response in medium- and high-entropy alloys.

36 MATERIALS SCIENCE↗

Aluminum scandium nitride films for piezoelectric transduction into silicon at gigahertz frequencies

Recent advances in the growth of aluminum scandium nitride films on silicon suggest that this material platform could be applied for quantum electromechanical applications. Here, we model, fabricate, and characterize microwave frequency silicon phononic delay lines with transducers formed in an adjacent aluminum scandium nitride layer to evaluate aluminum scandium nitride films, at 32% scandium, on silicon interdigital transducers for piezoelectric transduction into suspended silicon membranes. We achieve an electromechanical coupling coefficient of 2.7% for the extensional symmetric-like Lamb mode supported in the suspended material stack and show how this coupling coefficient could be increased to at least 8.5%, which would further boost transduction efficiency and reduce the device footprint. The one-sided transduction efficiency, which quantifies the efficiency at which the source of microwave photons is converted to microwave phonons in the silicon membrane, is 10% at 5 GHz at room temperature and, as we discuss, there is a path to increase this toward near-unity efficiency based on a combination of modified device design and operation at cryogenic temperatures.

36 MATERIALS SCIENCE↗

Large change of interlayer vibrational coupling with stacking in Mo 1-x W x Te 2

Stacking variations in quasi-two-dimensional materials can have an important influence on material properties, such as changing the topology of the band structure. Unfortunately, the weakness of van der Waals (vdW) interactions makes it difficult to compute the stacking dependence of properties, and even in a material as simple as graphite the stacking energetics remain unclear. Mo 1 - x W x Te 2 is a material in which three differently stacked phases are conveniently accessible by temperature changes: 1 T ' , T d * , and the reported Weyl semimetal phase T d . Additionally, the transitions proceed via layer sliding, and the corresponding interlayer shear mode (ISM) is relevant not just for the stacking energetics but also for understanding the relationship between Weyl physics and structural changes. However, the interlayer interactions of Mo 1 - x W x Te 2 are not well understood, with wide variation in computed properties. We report inelastic neutron scattering of the ISM in a Mo 0.91 W 0.09 Te 2 crystal. The ISM energies are generally consistent with the linear chain model, as expected given the weak interlayer interaction, though there are some discrepancies from predicted intensities. However, the interlayer force constants K x in the T d * and 1 T ' phases are substantially weaker than that of T d at 75(3) and 83(3)%, respectively. Considering that the relative positioning of atoms in neighboring layers is approximately the same regardless of overall stacking, our results suggest that longer-range influences, such as stacking-induced electronic band-structure changes, may be responsible for the substantial change in the interlayer vibrational coupling and thus the C 55 elastic constant. These findings should elucidate the stacking energetics of Mo 1 - x W x Te 2 and other vdW layered materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Low-frequency Raman active modes of twisted bilayer MoS 2

Abstract We study the low-frequency Raman active modes of twisted bilayer MoS 2 for several twist angles using a force-field approach and a parametrized bond polarizability model. We show that twist angles near high-symmetry stacking configurations exhibit stacking frustration that leads to significant buckling of the moiré superlattice. We find that atomic relaxation due to the twist is of prime importance. The periodic displacement of the Mo atoms shows the realization of a soliton network, and in turn, leads to the emergence of a number of frequency modes not seen in the high-symmetry stacking systems. Some of the modes are only seen in the XZ Raman polarization setup while others are seen in the XY setup. The symmetry of the normal modes, and how this affects the Raman tensors is examined in detail.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Topological photonic crystal fiber

Photonic crystal fibers (PCFs) provide a versatile platform for various applications, thanks to the flexibility with which light guiding can be customized by modifying the fiber geometry. We realize a PCF with guided modes produced by photonic band structure topology rather than conventional mode-trapping mechanisms. The design, which is compatible with the stack-and-draw fabrication process, consists of a cross-sectional photonic topological crystalline insulator with a disclination. A bulk-defect correspondence produces degenerate topological modes, lying below the cladding light line. We use various theoretical methods to confirm their topological origins, including a spectral localizer that makes minimal assumptions about the band structure. Our experiments on the fabricated fiber show it transmitting visible to near-infrared light with low losses of 10 to 20 decibels per kilometer, which do not increase substantially when the fiber is bent. A comparable solid-core PCF of conventional design exhibits substantially higher bending losses. Optical fibers based on topological modes hold promise for improved performance and versatile functionalities.

Zhu, Bofeng [Nanyang Technological Univ. (Singapor↗

Small molecule BLVRB redox inhibitor promotes megakaryocytopoiesis and stress thrombopoiesis in vivo

Biliverdin IXβ reductase (BLVRB) is an NADPH-dependent enzyme previously implicated in a redox-regulated mechanism of thrombopoiesis distinct from the thrombopoietin (TPO)/c-MPL axis. Here, we apply computational modeling to inform molecule design, followed by de novo syntheses and screening of unique small molecules retaining the capacity for selective BLVRB inhibition as a novel platelet-enhancing strategy. Two distinct classes of molecules are identified, and NMR spectroscopy and co-crystallization studies confirm binding modes within the BLVRB active site and ring stacking between the nicotinamide moiety of the NADP+ cofactor. A diazabicyclo derivative displaying minimal off-target promiscuity and excellent bioavailability characteristics promotes megakaryocyte speciation in biphenotypic (erythro/megakaryocyte) cellular models and synergizes with TPO-dependent megakaryocyte formation in hematopoietic stem cells. Upon oral delivery into mice, this inhibitor expands platelet recovery in stress thrombopoietic models with no adverse effects. In this work, we identify and validate a cellular redox inhibitor retaining the potential to selectively promote megakaryocytopoiesis and enhance stress-associated platelet formation in vivo distinct from TPO receptor agonists.

36 MATERIALS SCIENCE↗

CO2 Handling & Electrolyzer Efficiency Scaling Evaluator

CHEESE is an interactive dashboard tool for estimating the performance and material requirements of carbon dioxide electrolysis systems. It helps users evaluate how electrode area, current density, product selectivity, gas flow, cell voltage, and the number of cells in a stack affect system operation. The dashboard provides simple and advanced modes so it can be used for both quick estimates and more detailed engineering analysis. Users can estimate product output, carbon dioxide use, electrical power, electrode area, gas and liquid flow rates, energy efficiency, material cost per test, and the effect of scaling from a single cell to a multi cell stack. It also includes tools for examining carbon balance, equipment durability, component replacement, and changes in performance over time. This is intended to help both academia and industry researchers who are either getting into CO2 electrolysis on lab-scale or are trying to establish a larger footprint. CHEESE presents results through tables, charts, and simplified cell and stack diagrams. It is intended to support research planning, experimental design, comparison of operating conditions, and early stage scale up studies.

Prajapati, Aditya [Lawrence Livermore National Lab↗

Neutrons reveal the dynamics of leaf thylakoids in living plants

The study is the first known exploration of photosynthetic membranes dynamics in living plants by high resolution quasielastic neutron scattering spectroscopy. We investigated the mobility and flexibility of thylakoid membranes in common duckweed (Landoltia punctata) and identified dynamics across various length scales corresponding to individual membranes and membranes stack. We employed classical models typically used to study lipid bilayers to characterize the undulation modes and rigidity of the membranes and reveal how structural variations influence the observed complex dynamics. Our findings show that the stacks of thylakoids in duckweed behave as rigid systems, exhibiting an effective bending coefficient in the lower range associated with surfactant membranes. In contrast, the single thylakoid leaflets display greater apparent flexibility and are well situated within the bi-continuous surfactant phase dynamics. While our observations enhance the understanding of the intricate architecture and mobility of photosynthetic cellular machinery, they also highlight the limitations of applying ideal lipid membranes models to describe complex biological systems. This work opens more questions and the need for further investigations across extended length and time scales, as well as the importance of rigorous sample preparation and experimental control.

Applied physics↗

Mitigating Transition in the Fermilab Booster Using a Triple Phase Jump

The PIP-II project will significantly enhance neutrino production for DUNE, Fermilab’s flagship long-baseline neutrino oscillation experiment, by doubling the beam power delivered by the accelerator complex. To achieve this, the total charge injected from the new PIP-II linac into the Booster rapid cycling synchrotron (RCS) will increase from $4.5\times 10^{12}$ to $6.5\times 10^{12}$ protons per pulse. Simultaneously, the Booster’s ramp rate will rise from 15 to 20 Hz, while the injection energy will go from 400 MeV to 800 MeV. The Booster accelerates the beam to 8 GeV and crosses transition at $\gamma_t=5.45$. In current operations, no dedicated $\gamma_t$ jump system is employed; instead, longitudinal emittance growth is controlled via an active quadrupole-mode feedback system. Downstream, the Recycler Ring uses slip-stacking to accumulate beam and increase bunch intensity. However, this process imposes a constraint on the longitudinal emittance at Booster extraction, limiting it to 0.1 eV-s (95\%) to avoid excessive particle loss. Because collective effects scale with intensity, additional measures to mitigate transition crossing may be required to stay below this limit. One potential approach is the so-called triple phase-jump technique. While the method has known limitations, it offers some advantages: it can be implemented using the existing digital low-level RF (LLRF) system, requires no additional magnets or pulsed power supplies, and remains compatible with quadrupole-mode feedback.

Ostiguy, J.-F. [Fermilab] (ORCID:0000000290883681)↗

Mitigating Transition in the Fermilab Booster Using a Triple Phase Jump

The PIP-II project will significantly enhance neutrino production for DUNE, Fermilab s flagship long-baseline neutrino oscillation experiment, by doubling the beam power delivered by the accelerator complex. To achieve this, the total charge injected from the new PIP-II linac into the Booster rapid cycling synchrotron (RCS) will increase from $4.5\times 10^{12}$ to $6.5\times 10^{12}$ protons per pulse. Simultaneously, the Booster s ramp rate will rise from 15 to 20 Hz, while the injection energy will go from 400 MeV to 800 MeV. The Booster accelerates the beam to 8 GeV and crosses transition at $\gamma_t=5.45$. In current operations, no dedicated $\gamma_t$ jump system is employed; instead, longitudinal emittance growth is controlled via an active quadrupole-mode feedback system. Downstream, the Recycler Ring uses slip-stacking to accumulate beam and increase bunch intensity. However, this process imposes a constraint on the longitudinal emittance at Booster extraction, limiting it to 0.1 eV-s (95\%) to avoid excessive particle loss. Because collective effects scale with intensity, additional measures to mitigate transition crossing may be required to stay below this limit. One potential approach is the so-called triple phase-jump technique. While the method has known limitations, it offers some advantages: it can be implemented using the existing digital low-level RF (LLRF) system, requires no additional magnets or pulsed power supplies, and remains compatible with quadrupole-mode feedback.

Ostiguy, Jean-Francois [Fermilab] (ORCID:000000029↗

Improving the accuracy of freight mode choice models: A case study using the 2017 CFS PUF data set and ensemble learning techniques

Here, the US Census Bureau has collected two rounds of experimental data from the Commodity Flow Survey, providing shipment-level characteristics of nationwide commodity movements, published in 2012 (i.e., Public Use Microdata) and in 2017 (i.e., Public Use File). With this information, data-driven methods have become increasingly valuable for understanding detailed patterns in freight logistics. In this study, we used the 2017 Commodity Flow Survey Public Use File data set to explore building a high-performance freight mode choice model, considering three main improvements: (1) constructing local models for each separate commodity/industry category; (2) extracting useful geographical features, particularly the derived distance of each freight mode between origin/destination zones; and (3) applying additional ensemble learning methods such as stacking or voting to combine results from local and unified models for improved performance. The proposed method achieved over 92% accuracy without incorporating external information, an over 19% increase compared to directly fitting Random Forests models over 10,000 samples. Furthermore, SHAP (Shapely Additive Explanations) values were computed to explain the outputs and major patterns obtained from the proposed model. The model framework could enhance the performance and interpretability of existing freight mode choice models.

42 ENGINEERING↗

Tailoring the Thickness‐Dependent Optical Properties of Conducting Nitrides and Oxides for Epsilon‐Near‐Zero‐Enhanced Photonic Applications

Abstract The unique properties of the emerging photonic materials, conducting nitrides and oxides, especially their tailorability, large damage thresholds, and, importantly, the so‐called epsilon‐near‐zero (ENZ) behavior, have enabled novel photonic phenomena spanning optical circuitry, tunable metasurfaces, and nonlinear optical devices. This work explores direct control of the optical properties of polycrystalline titanium nitride (TiN) and aluminum‐doped zinc oxide (AZO) by tailoring the film thickness, and their potential for ENZ‐enhanced photonic applications. This study demonstrates that TiN–AZO bilayers support Ferrell–Berreman modes using the thickness‐dependent ENZ resonances in the AZO films operating in the telecom wavelengths spanning from 1470 to 1750 nm. The bilayer stacks also act as strong light absorbers in the ultraviolet regime using the radiative ENZ modes and the Fabry–Perot modes in the constituent TiN films. The studied Berreman resonators exhibit optically induced reflectance modulation of 15% with picosecond response time. Together with the optical response tailorability of conducting oxides and nitrides, using the field enhancement near the tunable ENZ regime can enable a wide range of nonlinear optical phenomena, including all‐optical switching, time refraction, and high‐harmonic generation.

Saha, Soham↗

Magnetic properties of metastable honeycomb KCoAsO 4

We present comprehensive neutron scattering data on polycrystalline samples of a new metastable honeycomb material KCoAsO 4 . Below 𝑇 𝑁 = 14 K, the system orders into a zigzag antiferromagnetic state, with spins ordered into alternating ferromagnetic chains similar to the isostructural sister compound KNiAsO 4 . In the case of KCoAsO 4 , we find the moments are robustly canted out of plane closer to the crystallographic 𝑐 axis. A combination of weak interlayer coupling, lattice strain, and inhomogeneities lead to the coexistence of two magnetic ordering wave vectors 𝑘 1 = (1.5 0 0) and 𝑘 2 = (0.5 0 0.5), where the two structures differ only in their layer stacking. Inelastic data show the presence of a spin orbital mode at 24 meV, supporting a pseudospin $\tilde{𝑆}$ = 1/2 Kramer's doublet ground state of the Co 2+ ions. We model the low energy excitations using both a conventional XXZ Hamiltonian and generalized Kitaev Heisenberg Hamiltonian within a linear spin wave limit. While either model can qualitatively reproduce the observed spectra, the lack of fine features and observation of disorder prevent a clear-cut determination of the low energy Hamiltonian. In the case of an XXZ-type model, a large easy-axis anisotropy is necessary to reproduce the gapped spectra and canting of the magnetic moments. For the generalized Kitaev model, despite the large canting of the moments away from the honeycomb layers, we find a noticeable if nondominant Kitaev term persists. In conclusion, the contrast of the magnetic properties of KCoAsO 4 to other cobalt honeycombs highlights the sensitivity of the low energy magnetic properties of Co 2+ to fine details of its crystalline environment.

Honeycomb lattice↗