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At least 1,009 records · Page 56

Anisotropic superconductivity at KTaO 3 (111) interfaces

A two-dimensional, anisotropic superconductivity was recently found at the KTaO 3 (111) interfaces. The nature of the anisotropic superconducting transition remains a subject of debate. To investigate the origins of the observed behavior, we grew epitaxial KTaO 3 (111)-based heterostructures. We show that the superconductivity is robust against the in-plane magnetic field and violates the Pauli limit. We also show that the Cooper pairs are more resilient when the bias is along [11$\bar{2}$] (I ∥ [11$\bar{2}$]) and the magnetic field is along [1$\bar{1}$0] (B ∥ [1$\bar{1}$0]). We discuss the anisotropic nature of superconductivity in the context of electronic structure, orbital character, and spin texture at the KTaO 3 (111) interfaces. The results point to future opportunities to enhance superconducting transition temperatures and critical fields in crystalline, two-dimensional superconductors with strong spin-orbit coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Sequential multidimensional heteroepitaxy of chalcogen-sharing 3D ZnSe and 2D MoSe 2 with quasi van der Waals interface engineering

Two-dimensional (2D) materials are emerging as a promising platform for epitaxial growth, largely free from the constraints of lattice constant and thermal expansion coefficient mismatches. Among them, transition metal dichalcogenides (TMDs), known for their superior electrical properties, are ideal for ultrathin semiconductor applications. Their unique epitaxial characteristics enable seamless integration with 3D materials, facilitating the development of gate stacks and heterojunction devices. In this regard, developing a process for growing high-quality 3D epitaxial materials before and after the growth of 2D TMDs and understanding the 2D/3D interface are crucial. This study demonstrates the sequential growth of fully epitaxial ZnSe/MoSe 2 /ZnSe heterostructures using metal-organic chemical vapor deposition. ZnSe and MoSe 2 , sharing chalcogen elements, enable large-area quasi van der Waals epitaxy with sharp interfaces without intermediate phase. Multiscale analysis involving transmission electron microscopy and density functional theory calculation reveals lattice commensurability, van der Waals gaps, termination, and interfacial reconstruction. Understanding these interactions is crucial for advancing multidimensional integration of 2D and 3D materials.

36 MATERIALS SCIENCE↗

Neuromorphic ionic computing in droplet interface synapses

Ionic devices with memory capabilities can emulate neural functionality, enabling neuromorphic computing and biomedical applications. In this study, we report an ionic spiking synapse based on aqueous droplet interface bilayer assembly. Under stepwise triangular voltages, the device displays coupled memcapacitive-memristive behavior, showing noncrossing pinched hysteretic I-V loops. This hysteretic ion dynamics can be regulated by modifying bilayer components, reconstituting protein channels, or adjusting droplet assembly configuration. Droplet interface synapses (DIS) exhibit fundamental neuromorphic behaviors such as paired-pulse facilitation/depression, spike rate–dependent plasticity, Hebbian learning, and short-term associative learning under classical conditioning. We also used reservoir computing with DIS to implement two learning algorithms: a classification algorithm that recognizes handwritten digits and a reinforcement learning algorithm that learns to play a board game of tic-tac-toe.

Li, Zhongwu [Lawrence Livermore National Laborator↗

A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface

Novel animal influenza viruses emerge, initiate pandemics, and become endemic seasonal variants that have evolved to escape from prevalent herd immunity. These processes often outpace vaccine-elicited protection. Focusing immune responses on conserved epitopes may impart durable immunity. We describe a focused, protective antibody response, abundant in memory and serum repertoires, to a conserved region at the influenza virus hemagglutinin (HA) head interface. Structures of 11 examples, 8 reported here, from seven human donors demonstrate the convergence of responses on a single epitope. The 11 are genetically diverse, with one class having a common, IGκV1-39, light chain. All of the antibodies bind HAs from multiple serotypes. The lack of apparent genetic restriction and potential for elicitation by more than one serotype may explain their abundance. We define the head interface as a major target of broadly protective antibodies with the potential to influence the outcomes of influenza virus infection.

60 APPLIED LIFE SCIENCES↗

IR challenges and the machine detector interface at FCC-ee

The FCC-ee, with its unprecedented luminosity goal and high energy reach, creates challenges and requires solutions to many issues in order to produce a realistic design for the complex machine detector interface. The interaction region design for the FCC-ee adopts the crab-waist collision scheme and proposes an elegant local chromaticity correction system. An asymmetric layout of nearby dipoles suppresses the critical energy of synchrotron radiation incoming to the detector at the interaction point to a maximum value of 100 keV. The main challenge of the FCC-ee machine detector interface design is to combine the many conflicting accelerator and 2 T detector constraints, aiming for the optimal trade-off choices that simultaneously allow for a best machine performance in terms of integrated luminosity and data taking efficiency. Much of the success of the FCC-ee will be related to the interaction region design, as a result of the ingredients coming from areas of accelerator physics, mechanical engineering and detector optimization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

FAIR Interfaces for Geospatial Scientific Data Searches

Several factors must be considered in designing a highly accurate, reliable, scalable, and user-friendly geospatial data search interfaces. This paper examines four critical questions that ought to be considered during design phase: (1) Is the search interface or API that provides the search capability useable by both humans and machines? (2) Are the results consistent and reliable? (3) Is the output response format free to use, community-defined, and non-propriety? (4) Does the API clearly state the usage clauses? This paper discusses how certain data repositories at the US Department of Energy's Oak Ridge National Laboratory apply FAIR data principles to enable geospatial searches and address the above-mentioned questions.

Devarakonda, Ranjeet↗

A Reference Implementation for a Quantum Message Passing Interface

Practical applications of quantum computing are currently limited by the number of qubits that can be set with reasonable fidelities for each system. Therefore, a distributed quantum computing system with multiple quantum computers coherently connected is highly demanding. To realize the internode communication of quantum information, the software interface, Quantum Message Passing Interface (QMPI), leveraging the framework built for classical MPI but taking advantage of quantum teleportation to communicate between different quantum nodes was proposed. In this project, we develop the QMPI with point-to-point and collective operations in Qiskit and characterize its performance by demonstrating the application implementations. Moreover, we developed a new technique for optimizing collective communication of the distributed quantum programs with Multi-Controlled Toffoli gates. This technique beats the state-of-the-art in terms of fidelity and the number of remote EPR pairs consumed in both simulations and experiments.

Shi, Yue↗

Multifunctional Films Deposited by Atomic Layer Deposition for Tailored Interfaces of Electrochemical Systems

A new strategy for electrochemical interfaces that utilizes multilayer films deposited by atomic layer deposition (ALD) is introduced. Manganese-rich and nickel-rich cathode oxides were coated with a novel bilayer film of metal fluorides. Subsequent exposure to prolonged, high-voltage electrochemical cycling vs graphite electrodes revealed that the bilayer film can greatly enhance the high-voltage stability of cathode oxides. In particular, in manganese-rich cells, capacity fade due to manganese dissolution was substantially reduced and impedance rise was virtually eliminated. Furthermore, in nickel-rich NMC-811 cells, impedance rise was reduced by ~80%, compared to the NMC-811 baseline, after ~300 h of high-voltage exposure during cycling. Here, the multilayer film strategy presents an exciting opportunity for tailoring designs and materials for electrochemical interfaces in advanced lithium-ion batteries and beyond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spatiotemporal Visualization and Chemical Identification of the Metal Diffusion Layer at the Electrochemical Interface

The diffusion layer created by transition metal dissolution is ubiquitous at the electrochemical solid-liquid interface and plays a key role in determining electrochemical performance. Tracking the spatiotemporal dynamics of the diffusion layer has remained an unresolved challenge. With spatially resolved synchrotron X-ray fluorescence microscopy and micro-X-ray absorption spectroscopy, we demonstrate the in situ visualization and chemical identification of the dynamic diffusion layer near the electrode surface under electrochemical operating conditions. Finally, our method allows for direct mapping of the reactive electrochemical interface and provides insights into engineering the diffusion layer for improving electrochemical performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Detection of a Cobalt-Containing Interphase at the Li 6 PS 5 Cl-NMC111 Interface by In Situ μ XANES and EIS

Sulfide electrolyte all-solid-state lithium batteries (ASLBs) with uncoated Li-Ni x Mn y Co 1–x–y O 2 (NMC) cathodes suffer from a large capacity loss during initial cycling and an increase in cell impedance. Decomposition reactions are known to occur at the Li 6 PS 5 Cl-NMC111 interface due to incompatibility between the two materials. If a stabilizing coating is applied to the NMC, it delivers full capacity during initial charge. However, the loss in capacity during discharge still occurs. The interface was studied by μ XANES and through EIS analysis. A chemically-formed interphase was detected by μ XANES, evident from reduction of Co at an uncoated NMC particle surface. This interphase was produced by decomposition at rest. To study the effect of the interphase on electrochemically active surface area, piecewise in situ EIS was performed and the data was modeled using a transmission line model (TLM). The charge transfer resistance R CT was used to estimate the volume specific active surface area (a act ). The median value for a act was 296 cm –1 , a factor of 7.5 lower than the theoretical value of 2216 cm –1 . This provided evidence of a lower electrochemically active surface area in the ASLB.

36 MATERIALS SCIENCE↗

Solid Electrolyte Interphase Formation at the Ionic Liquid Electrolyte—Lithium-Metal Interface Using an Ab Initio Molecular Dynamics Approach

An interfacial study is performed using ab initio molecular dynamics (AIMD) simulations to elucidate the electrochemical interfacial stability of an ionic liquid (IL) as component of an electrolyte in contact with a Li-metal anode when an additive, vinylene carbonate (VC), is added to the electrolyte. The IL electrolyte is composed of 1-butyl-1-methylpyrrolidinium bis(fluoro-sulfonyl)-imide (PYR14 + FSI − ) with lithium bis(trifluoromethane-sulfonyl)imide salt (Li + TFSI − ) in a 8:2 concentration ratio. Reactions observed at the interface electrolyte/Li-metal during the AIMD simulations are verified by electronic structure calculations using density functional theory calculations considering a continuum solvent model. We found that the addition of VC to the IL prevents further reduction of the counter-ion TFSI − and retards reduction of FSI − in comparison to the case when the additive VC is absent. The PYR14 + reduction is never observed with or without the additive. The 1st, 2nd, and 3rd electron affinities of the PYR14 + are −0.08, −0.36 and −3.65 eV, indicating little to large repulsive behavior against electrons. The opposite is observed for the two negative ions, FSI − and TFSI − , which yield 1st electron affinities of 1.73 and 1.83 eV, respectively. Reactions obtained under open circuit conditions. Dissociation mechanisms are presented for all IL components reduced at the IL/Li-metal interface.

Electrochemistry↗

Nano Scale Poly(vinylidene chloride-co-acrylonitrile) Protection for Reversible and Stable Mg Anode Interface

This study investigates the efficacy of a polymer coating, PVdC-co-AN, in enhancing the stability and reversibility of the electrochemical Mg anode interface. Coated electrodes, immersed in a 0.25 M Mg(TFSI) 2 −0.50 M MgCl 2 /dimethoxyethane (DME) electrolyte, exhibit notable improvements. Cyclic voltammetry demonstrates consistent behavior with the coated electrode, while the uncoated electrode changes dramatically. During extended open circuit potential conditions, the coated electrode maintains much higher coulombic efficiency (93%) compared to the uncoated electrode (62%). Galvanostatic cycling test over 200 cycles further show the benefits of the PVdC-co-AN coating, decreasing the overpotential of Mg plating and improving long-term stability. The coated electrodes also demonstrate improved rate capability at higher current densities. Surface analysis reveals differences in the formation of byproducts between the coated and uncoated electrodes, indicating a more stable and uniform interface in the former. Nuclear magnetic resonance (NMR) spectroscopy suggests that the polymer influences ion mobility through tuning the solvation environments which results in better kinetics and fewer byproducts. In summary, the study affirms that the PVdC-co-AN coating significantly improves the stability and performance of Mg electrochemistry, offering a promising advancement for practical battery applications.

25 ENERGY STORAGE↗

ZFS Interface For Accelerators

As data volume increases in HPC centers, storing data in reasonable amounts of space and time while maintaining data integrity and recoverability becomes ever more difficult. ZFS is a filesystem that provides these features, among many others, that make it attractive for usage in HPC environments. It has the ability to compress data, compute checksums, and compute redundancy codes within the same runtime, rather than compute each separately, without knowledge of the underlying structure of the filesystem. However, measurements have shown that compression on CPUs can be incredibly inefficient and significantly reduce the performance of ZFS. The ZFS Interface for Accelerators (Z.I.A.) was developed to provide an interface to route data to accelerators while being processed by ZFS, so that the ZFS infrastructure and features are maintained, while allowing for ZFS administrators to provide faster implementations of compression, or other features, to their instance of ZFS.

Lee, Jason↗

IBSL (Interface between source and load) [SWR-21-81]

Interfacing voltage source with a load and a current source with a sink are challenging. The model developed under this software is used to interface voltage source with a sink and a current source with the sink.

Prabakar, Kumaraguru↗

Tribol Interface Physics Library

Tribol is a modular interface physics library featuring Lagrangian contact algorithms for explicit and implicit solid mechanics applications. More broadly, Tribol supports the research, development, and implementation of numerical methods for interface physics.

Settgast, RandolphR↗

Real-Sim Flexible Interface for X-in-the-loop Simulation (FIXS)

Real-Sim is a multi-resolution X-in-the-loop simulation framework to support inclusive testing and evaluation of CAVs before actual implementation in the real world. Real-Sim framework connects different simulation components and integrates various traffic and vehicle simulation tools, virtual environments, and XIL systems through a Flexible Interface for XIL Simulation (FIXS). Connections among different tools are transparent to users and handled by the interface behind the scenes. Co-simulation of various vehicle and traffic simulation tools with different XIL systems can be easily achieved and become a transparent "plug-and-play" process to users.

Shao, Yunli (0000000185287925)↗

hypredrive: high-level interface for solving linear systems with hypre

This software introduces a high-level interface designed to simplify solving linear systems using hypre, a renowned library for such computational challenges. It is crafted to be accessible and user-friendly, making the powerful capabilities of hypre available to a broader audience without requiring in-depth technical knowledge. The interface is characterized by its use of YAML for input, a format celebrated for its structured yet straightforward readability. This choice ensures that users can easily configure the software to meet their specific needs. Additionally, the software boasts an intuitive API that encapsulates hypre's functionalities, making it easier for users to interact with the process of solving linear systems. It is particularly beneficial for prototyping, offering a quick and efficient means to test various solver and preconditioner configurations. Furthermore, the software allows for the creation of an offline testing framework in which predefined linear systems are read from files and benchmarked with user-defined solution strategies. This makes it an invaluable tool for developers and researchers exploring and validating their computational models. Overall, the software serves as a bridge, bringing the advanced computational capabilities of hypre closer to users who may need more specialized technical expertise, thereby facilitating innovation and exploration in the field of numerical linear algebra.

Paludetto Magri, Victor↗

SysCaps (Language Interfaces for Simulation Surrogates of Complex Systems) [SWR-24-97]

You've found the official code repository for the paper "SysCaps: Language Interfaces for Simulation Surrogates of Complex Systems," presented at the Foundation Models for Science: Progress, Opportunities, and Challenges workshop at NeurIPS 2024. Our paper conjectures that interfaces (both text templates as well as conversational) makes interacting with simulation surrogate models for complex systems more intuitive and accessible for both non-experts and experts. "System captions", or SysCaps, are text-based descriptions of systems based on information contained in simulation metadata. Our paper's goal is to train multimodal regression models that take text inputs (SysCaps) and timeseries inputs (exogenous system conditions such as hourly weather) and regress timeseries simulation outputs (e.g. hourly building energy consumption). The experiments in our paper with building and wind farm simulators, which can be reproduced using this codebase, aim to help us understand whether a) accurate regression in this setting is possible and b) if so, how well can we do it. Paper: https://arxiv.org/abs/2405.19653

Emami, Patrick↗