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At least 1,495 records · Page 83

Application of diffusion barriers to high modulus fibers

Barrier layers were coated onto high-modulus fibers, and nickel and titanium layers were overcoated as simulated matrix materials. The objective was to coat the high-strength fibers with unreactive selected materials without degrading the fibers. The fibers were tungsten, niobium, and single-crystal sapphire, while the materials used as barrier coating layers were Al2O3, Y2O3, TiC, ZrC, WC with 14% Co, and HfO2. An ion-plating technique was used to coat the fibers. The fibers were subjected to high-temperature heat treatments to evaluate the effectiveness of the barrier layer in preventing fiber-metal interactions. Results indicate that Al2O3, Y2O3, and HfO2 can be used as barrier layers to minimize the nickel-tungsten interaction. Further investigation, including thermal cycling tests at 1090 C, revealed that HfO2 is probably the best of the three.

Veltri, R. D.↗

DNA origami single crystals with Wulff shapes

DNA origami technology has proven to be an excellent tool for precisely manipulating molecules and colloidal elements in a three-dimensional manner. However, fabrication of single crystals with well-defined facets from highly programmable, complex DNA origami units is a great challenge. Here, we report the successful fabrication of DNA origami single crystals with Wulff shapes and high yield. By regulating the symmetries and binding modes of the DNA origami building blocks, the crystalline shapes can be designed and well-controlled. The single crystals are then used to induce precise growth of an ultrathin layer of silica on the edges, resulting in mechanically reinforced silica-DNA hybrid structures that preserve the details of the single crystals without distortion. The silica-infused microcrystals can be directly observed in the dry state, which allows meticulous analysis of the crystal facets and tomographic 3D reconstruction of the single crystals by high-resolution electron microscopy.

59 BASIC BIOLOGICAL SCIENCES↗

The tilt effect for Saturn's rings

Multiple-scattering computations are carried out to explain the variation of the observed brightness of the A and B rings of Saturn with declination of the earth and sun. These computations are performed by a doubling scheme for a homogeneous plane-parallel scattering medium. A range of choices is tested for the phase function, albedo for single scattering, and optical depth of both the rings. Isotropic scattering and several other simple phase functions are ruled out, and it is found that the phase function must be moderately peaked in both the forward and backward directions. The tilt effect can be explained by multiple scattering in a homogeneous layer, but, for ring B, this requires a single-scattering albedo in excess of 0.8. The brightest part of ring B must have an optical depth greater than 0.9. It is found that the tilt effect for ring A can be reproduced by particles having the same properties as those in ring B with the optical depth for the A ring in the range 0.4 to 0.6.

Esposito, L. W.↗

Pitting and Bending Fatigue Evaluations of a New Case-Carburized Gear Steel

The power density of a gearbox is an important consideration for many applications and is especially important for gearboxes used on aircraft. One approach to improving power density of gearing is to improve the steel properties by design of the alloy. The alloy tested in this work was designed to be case-carburized with surface hardness of Rockwell C66 after hardening. Test gear performance was evaluated using surface fatigue tests and single-tooth bending fatigue tests. The performance of gears made from the new alloy was compared to the performance of gears made from two alloys currently used for aviation gearing. The new alloy exhibited significantly better performance in surface fatigue testing, demonstrating the value of the improved properties in the case layer. However, the alloy exhibited lesser performance in single-tooth bending fatigue testing. The fracture toughness of the tested gears was insufficient for use in aircraft applications as judged by the behavior exhibited during the single tooth bending tests. This study quantified the performance of the new alloy and has provided guidance for the design and development of next generation gear steels.

Krantz, Timothy↗

Single-shot switching in Tb/Co-multilayer based nanoscale magnetic tunnel junctions

Magnetic tunnel junctions (MTJs) are elementary units of magnetic memory devices. For high-speed and low-power data storage and processing applications, fast reversal of the magnetization by an ultrashort laser pulse is extremely important. Here we demonstrate single-shot switching of Tb/Co-multilayer based nanoscale MTJs by combining the optical writing and the electrical read-out methods. A 90-fs-long laser pulse switches the magnetization of the storage layer (SL). The change in the tunneling magnetoresistance (TMR) between the SL and a reference layer (RL) is probed electrically across the oxide barrier. Single-shot switching is demonstrated by varying the cell diameter from 300 nm to 20 nm. The anisotropy, magnetostatic coupling, and switching probability exhibit cell-size dependence. By suitable association of laser fluence and magnetic field, successive commutation between high-resistance and low-resistance states is achieved. The nature of the magnetization reversal of both SL and RL in a continuous film is probed with a depth-resolved magneto-optical Kerr effect (MOKE) magnetometry. The ultrafast dynamics in the continuous full-MTJ stack is investigated with the time-resolved pump–probe technique. Our experimental findings provide strong support for the growing interest in ultrafast spintronic devices.

36 MATERIALS SCIENCE↗

Thermoelectric properties of SnSe and SnSe 2 single crystals

Thermoelectric materials can serve for conversion between thermal and electrical energy. In the search for new thermoelectric materials, layered SnSe and SnSe 2 are promising candidates. Here we have successfully synthesized SnSe and SnSe 2 single crystals by the modified Bridgman method and studied their thermoelectric properties: thermopower (S), thermal conductivity (κ), and electrical conductivity (σ) in the temperature range between 2 K and 400 K, which are absent in the literature. In particular, the kink observed in the thermopower corresponds to the metallic-nonmetallic crossover temperature for both SnSe and SnSe 2 , reflecting their inherent electronic nature. Compared to SnSe 2 above 100 K, we find that SnSe exhibits higher electrical conductivity, higher thermopower, and lower thermal conductivity, thus resulting in the higher figure of merit. Hall effect measurements reveal that the Hall mobility in SnSe is an order higher than that in SnSe 2 , advancing its thermoelectric performance. These experimental results are supported by first principles calculations, which indicate that the inequivalent Sn-Se bonding lengths help improve the figure of merit of SnSe.

36 MATERIALS SCIENCE↗

Enabling 4C Fast Charging of Lithium–Ion Batteries by Coating Graphite with a Solid–State Electrolyte

Enabling fast-charging (≥4C) of lithium-ion batteries is an important challenge to accelerate the adoption of electric vehicles. However, the desire to maximize energy density has driven the use of increasingly thick electrodes, which hinders rate capability. Herein, atomic layer deposition is used to coat a single-ion conducting solid electrolyte (Li 3 BO 3 -Li 2 CO 3 ) onto postcalendered graphite electrodes, forming an artificial solid-electrolyte interphase (SEI). When compared to uncoated control electrodes, the solid electrolyte coating: 1) eliminates natural SEI formation during preconditioning; 2) decreases interphase impedance by >75% compared to the natural SEI; and 3) extends cycle life under 4C charging conditions, enabling retention of 80% capacity after 500 cycles (compared to 12 cycles in the uncoated control) in pouch cells with >3 mAh cm –2 loading. Furthermore, this work demonstrates that 4C charging without Li plating can be achieved through purely interfacial modification without sacrificing energy density and sheds new light on the role of the SEI in Li plating and fast-charge performance.

25 ENERGY STORAGE↗

Single-Crystal-to-Single-Crystal Post-Synthetic Modifications

Chalcogenides are the cornerstone of the semiconductor and thermoelectric industries and are up-and-coming materials for superconductors, catalysis, and battery applications. Challenges in synthesizing those materials emerge from the chalcogen's volatility and the tendencies of chalcogenides to react with even trace quantities of oxygen. Many techniques have been applied to the growth of chalcogenide single crystals, which are convenient for structure determinations and intrinsic property measurements. One of the recent advances in chalcogenide chemistry is the intriguing single-crystal-to-single-crystal (SCSC) transformation, leading to new metastable compositions. Post-synthetic transformations are well-known and studied for chalcogenide powders; however, examples of post-synthetic conversions that retain single crystallinity are rare. To date, the scope of SCSC reactions includes (de)intercalation in the layered compositions and ion exchange in open-framework materials, salt-inclusion chalcogenides, and layered structures. This poster will discuss the successful examples of SCSC modifications monitored by single-crystal X-ray diffraction (SC-XRD), emphasizing how post-synthetic transformations affect materials' properties.

chalcogenide↗

Attention-based 3D – convolutional neural network model for mechanical property predictions using visible light images in metal additive manufacturing

Additive manufacturing (AM), while commonly used for rapid prototyping and creating components with complex geometries, has not been widely adopted for critical applications across the aerospace, automotive, defense, energy, and medical industries. This is, in part, due to the challenges of controlling flaws and uncertainty in the mechanical behavior of additively manufactured components. In recent years, there has been an increase in research aimed at predicting the final mechanical properties of additively manufactured components during the printing process. To address these issues, a 3D-CNN model was trained using low-cost in situ visible-light camera data, anomaly classifications, and the chosen process parameters to predict the ultimate tensile strength (UTS), yield strength (YS), total elongation (TE), and uniform elongation (UE). The 3D-CNN layers of the model employed attention mechanisms to prioritize features in the data, thereby improving prediction accuracy. Furthermore, the effect of each process parameter and anomaly class is investigated using attention-based dynamic sigmoid weighted gates to interpret the influence each class has on the final prediction. Different combinations of the in situ data were fed into the 3D-CNN, with varying amounts of image layers, to determine the ideal combination for predicting mechanical properties in situ. Here, the 3D-CNN model achieved mean absolute percentage errors (MAPE) below 5% for both UTS and YS while using only a single camera input and under half of the available image layers.

36 MATERIALS SCIENCE↗

Mixed-dimensional stackable electronics enabled by freestanding 2D/3D materials

2D material-based devices have received great deal of attention as they can be easily stacked to obtain multifunctionality. With their ultrathin thicknesses, such multifunctioning devices become so flexible and conformal that they can be placed onto any 3D featured surfaces. However, 2D heterostructures are typically demonstrated as stacked flakes where single or few devices can be fabricated due to lack of strategies for layer-by-layer stacking of 2D materials at the wafer scale. In this talk, I will discuss about our unique strategy to isolate wafer-scale 2D materials into monolayers and stack them into a heterostructures by using a layer-resolved splitting (LRS) technique. This technique enables my group at MIT to explore unprecedented wafer-scale 2D heterodevices including integrated photonics, 3D neuromorphic computing, and microLEDs, which will be introduced in my talk. While 2D heterostructures promise interesting futuristic devices, the performance of 2D material-based devices is substantially inferior to that of conventional 3D semiconductor materials. However, 3D materials exist as their bulk form, thus it is challenging to stack them together for heterostructures. Obviously, conformal coating of such single-crystalline bulks on 3D features is impossible. My group at MIT has recently invented a 2D materials-based layer transfer (2DLT) technique that can produce single-crystalline freestanding membranes from any compound materials with their excellent semiconducting performance. This technique is based on remote epitaxy of single-crystalline films on graphene followed by peeling from graphene. Stacking of freestanding 3D material membranes will enable unprecedented 3D heterostructures whose performance is expected to be superior to that of 2D heterostructures. I will talk about our group’s effort to apply single-crystalline freestanding membranes for flexible, conformal electronics as well as for 3D heterostructures. Finally, I will conclude my talk by discussing perspectives of coupling 2D-3D freestanding membranes for 2D-3D mixed heterostructured devices that can be enabled by our LRS and 2DLT techniques.

Kim, Jeehwan↗

QuCNN : A Quantum Convolutional Neural Network with Entanglement Based Backpropagation

Quantum Machine Learning continues to be a highly active area of interest within Quantum Computing. Many of these approaches have adapted classical approaches to the quantum settings, such as QuantumFlow, etc. We push forward this trend, and demonstrate an adaption of the Classical Convolutional Neural Networks to quantum systems - namely QuCNN. QuCNN is a parameterised multi-quantum-state based neural network layer computing similarities between each quantum filter state and each quantum data state. With QuCNN, back propagation can be achieved through a single-ancilla qubit quantum routine. QuCNN is validated by applying a convolutional layer with a data state and a filter state over a small subset of MNIST images, comparing the backpropagated gradients, and training a filter state against an ideal target state.

high performance computing, quantum computing↗

On the inviscid acoustic-mode instability of supersonic shear flows. I - Two-dimensional waves

The same previously utilized methods to study acoustic-mode instability in supersonic boundary layers are applied to free shear layers, and new calculations are derived for boundary layers with cooling and suction. The linear inviscid stability theory is employed to calculate spatial amplification rates at Mach 3 for the sinuous and varicose modes of a single wake flow and a single jet flow, each made up of the same mixing-layer profile plus a central region of uniform flow. It is shown that along with sequences of sinuous and varicose unstable modes clearly identifiable as acoustic modes, both of these flows, unlike the boundary layer, have a lowest sinuous mode that is the most unstable.

Mack, Leslie M.↗

New insight into tuning magnetic phases of RMn6Sn6 kagome metals

Abstract Predicting magnetic ordering in kagome compounds offers the possibility of harnessing topological or flat-band physical properties through tuning of the magnetism. Here, we examine the magnetic interactions and phases of ErMn 6 Sn 6 which belongs to a family of R Mn 6 Sn 6 , R = Sc, Y, Gd–Lu, compounds with magnetic kagome Mn layers, triangular R layers, and signatures of topological properties. Using results from single-crystal neutron diffraction and mean-field analysis, we find that ErMn 6 Sn 6 sits close to the critical boundary separating the spiral-magnetic and ferrimagnetic ordered states typical for non-magnetic versus magnetic R layers, respectively. Finding interlayer magnetic interactions and easy-plane Mn magnetic anisotropy consistent with other members of the family, we predict the existence of a number of temperature and field dependent collinear, noncollinear, and noncoplanar magnetic phases. We show that thermal fluctuations of the Er magnetic moment, which act to weaken the Mn-Er interlayer magnetic interaction and quench the Er magnetic anisotropy, dictate magnetic phase stability. Our results provide a starting point and outline a multitude of possibilities for studying the behavior of Dirac fermions in R Mn 6 Sn 6 compounds with control of the Mn spin orientation and real-space spin chirality.

36 MATERIALS SCIENCE↗

Performance of a Dual Anode Nickel-Hydrogen Cell

Nickel-hydrogen batteries are presently being used for energy storage on satellites in low Earth orbit and in geosynchronous orbit, and have also been selected for use on the proposed Space Station Freedom. Development continues on the cell technology in order to improve the specific energy and lengthen the cycle life. An experimental study was conducted to compare the voltage performance of a nickel-hydrogen cell containing a dual anode with the standard cell design which uses a single hydrogen electrode. Since the principle voltage loss in a nickel-hydrogen cell is attributed to the mass transport and resistive polarization parameters of the nickel electrode, addition of a hydrogen electrode on the other side of the nickel electrode should reduce the electrochemical polarizations by a factor of two. A 3.5 in. diameter boilerplate cell with a single 30 mils thick nickel electrode was cycled under various current conditions to evaluate its performance with a single anode and then with a double anode. A layered separator consisting of one Zircar cloth separator and one radiation-grafted polyethylene separator were used between the electrodes. The electrolyte was 26% KOH, and the tests were done at room temperature. The discharge voltage characteristics were determined as a function of current and depth-of-discharge. At the 4C discharge rate and 50% DOD, the voltage of the dual anode cell was 100 mV higher than the single anode cell. At 75% DOD the dual anode cell voltage was about 130 mV higher than the standard cell design. Resistances of the two c ell designs obtained from the slope of the mid-discharge voltages plotted against various currents indicated that the dual anode cell resistance was one-half of the state-of-the-art cell.

Gahn, Randall F.↗

A Three-Dimensional Reconstruction Algorithm for Scanning Transmission Electron Microscopy Data from a Single Sample Orientation

Abstract Increasing interest in three-dimensional nanostructures adds impetus to electron microscopy techniques capable of imaging at or below the nanoscale in three dimensions. We present a reconstruction algorithm that takes as input a focal series of four-dimensional scanning transmission electron microscopy (4D-STEM) data. We apply the approach to a lead iridate, PbIrO, and yttrium-stabilized zirconia, YZrO, heterostructure from data acquired with the specimen in a single plan-view orientation, with the epitaxial layers stacked along the beam direction. We demonstrate that Pb–Ir atomic columns are visible in the uppermost layers of the reconstructed volume. We compare this approach to the alternative techniques of depth sectioning using differential phase contrast scanning transmission electron microscopy (DPC-STEM) and multislice ptychographic reconstruction.

47 OTHER INSTRUMENTATION↗

State Preparation of Antisymmetrized Geminal Power on a Quantum Computer without Number Projection

The antisymmetrized geminal power (AGP) is equivalent to the number projected Bardeen–Cooper–Schrieffer (PBCS) wave function. It is also an elementary symmetric polynomial (ESP) state. We generalize previous research on deterministically implementing the Dicke state to a state preparation algorithm for an ESP state, or equivalently AGP, on a quantum computer. Our method is deterministic and has polynomial cost, and it does not rely on number symmetry breaking and restoration. We also show that our circuit is equivalent to a disentangled unitary paired coupled cluster operator and a layer of unitary Jastrow operator acting on a single Slater determinant. Here, the method presented herein highlights the ability of disentangled unitary coupled cluster to capture nontrivial entanglement properties that are hardly accessible with traditional Hartree–Fock based electronic structure methods.

97 MATHEMATICS AND COMPUTING↗

Reducing sputter induced stress and damage for efficient perovskite/silicon tandem solar cells

Reducing damages caused by sputtering of transparent conductive oxide (TCO) electrodes is critical in achieving highly efficient and stable perovskite/silicon tandem solar cells. Here we study the sputter caused damage to bathocuproine (BCP), which is widely used in highly efficient p-i-n structure single junction perovskite solar cells. While BCP buffer layer protects the underneath layers from damage, itself can be damaged by sputtering of TCOs at a wide range of target-substrate distances, supported by molecular dynamic simulation. More intriguingly, it is observed that TCO easily peeled off after sputtering when the sputtering target is close to substrate. This is ascribed to formation of stress during cooling down process after sputtering due to different thermal expansion coefficients of the layers. Our studies explain why tin oxide (SnO2) made by atomic layer deposition can replace BCP for a much better tandem device performance. SnO2 has high affinity with sputtered TCO electrode to suppress peeling-off issue and has higher bond energy to resist sputter induced damage, thus it allows a wider window of target-substrate distances than BCP during TCO sputtering. Ultimately, we demonstrate an efficient perovskite/silicon monolithic tandem solar cell with efficiency of 26.0% to illustrate the beneficial effects of reduced stress and damage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗