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V-HAMSTeR v1.0.0

V-HAMSTeR is a bioinformatics software tool designed to predict the hosts of viruses directly from genomic sequences. It can be used by researchers to predict animal, prokaryotic, plant, protist or fungal viral hosts including viruses that may be fragmented or discovered in environmental metagenomic datasets. Features & Uses: The software employs a novel dual-stream deep learning architecture that dynamically fuses implicit sequence embeddings from a genomic foundation model with 13 explicit, handcrafted biological features (e.g., coding density and strand switch rates). To ensure maximum reliability, V=HAMSTeR deploys a 5-fold deep ensemble calibrated via Joint Temperature Scaling, providing users with statistically rigorous confidence probabilities. It also features an automated sequence chunking and mean-pooling module to seamlessly process variable-length contigs. Advantages Over Similar Technologies: Existing tools (e.g., IPEV, RNAVirHost) typically rely on either basic k-mers or isolated neural networks. V-HAMSTeR's hybrid architecture captures both broad genomic context and specific biological motifs that standalone foundation models often miss. Furthermore, unlike competitor tools that struggle with incomplete data or exhibit extreme overconfidence, V-HAMSTeR is explicitly benchmarked and mathematically calibrated for fragmented assemblies (1kb–10kb). This makes it uniquely robust, accurate, and trustworthy for the messy reality of real-world environmental viromics.

Grigson, Susie [Lawrence Berkeley National Laborat↗

Advanced composites structural concepts and materials technologies for primary aircraft structures. Structural response and failure analysis: ISPAN modules users manual

The ISPAN Program (Interactive Stiffened Panel Analysis) is an interactive design tool that is intended to provide a means of performing simple and self contained preliminary analysis of aircraft primary structures made of composite materials. The program combines a series of modules with the finite element code DIAL as its backbone. Four ISPAN Modules were developed and are documented. These include: (1) flat stiffened panel; (2) curved stiffened panel; (3) flat tubular panel; and (4) curved geodesic panel. Users are instructed to input geometric and material properties, load information and types of analysis (linear, bifurcation buckling, or post-buckling) interactively. The program utilizing this information will generate finite element mesh and perform analysis. The output in the form of summary tables of stress or margins of safety, contour plots of loads or stress, and deflected shape plots may be generalized and used to evaluate specific design.

Hairr, John W.↗

Acoustic Treatment Design Scaling Methods

The ability to design, build and test miniaturized acoustic treatment panels on scale model fan rigs representative of full scale engines provides not only cost-savings, but also an opportunity to optimize the treatment by allowing multiple tests. To use scale model treatment as a design tool, the impedance of the sub-scale liner must be known with confidence. This study was aimed at developing impedance measurement methods for high frequencies. A normal incidence impedance tube method that extends the upper frequency range to 25,000 Hz. without grazing flow effects was evaluated. The free field method was investigated as a potential high frequency technique. The potential of the two-microphone in-situ impedance measurement method was evaluated in the presence of grazing flow. Difficulties in achieving the high frequency goals were encountered in all methods. Results of developing a time-domain finite difference resonator impedance model indicated that a re-interpretation of the empirical fluid mechanical models used in the frequency domain model for nonlinear resistance and mass reactance may be required. A scale model treatment design that could be tested on the Universal Propulsion Simulator vehicle was proposed.

Clark, L.↗

Propellant Chemistry for CFD Applications

Current concepts for reusable launch vehicle design have created renewed interest in the use of RP-1 fuels for high pressure and tri-propellant propulsion systems. Such designs require the use of an analytical technology that accurately accounts for the effects of real fluid properties, combustion of large hydrocarbon fuel modules, and the possibility of soot formation. These effects are inadequately treated in current computational fluid dynamic (CFD) codes used for propulsion system analyses. The objective of this investigation is to provide an accurate analytical description of hydrocarbon combustion thermodynamics and kinetics that is sufficiently computationally efficient to be a practical design tool when used with CFD codes such as the FDNS code. A rigorous description of real fluid properties for RP-1 and its combustion products will be derived from the literature and from experiments conducted in this investigation. Upon the establishment of such a description, the fluid description will be simplified by using the minimum of empiricism necessary to maintain accurate combustion analyses and including such empirical models into an appropriate CFD code. An additional benefit of this approach is that the real fluid properties analysis simplifies the introduction of the effects of droplet sprays into the combustion model. Typical species compositions of RP-1 have been identified, surrogate fuels have been established for analyses, and combustion and sooting reaction kinetics models have been developed. Methods for predicting the necessary real fluid properties have been developed and essential experiments have been designed. Verification studies are in progress, and preliminary results from these studies will be presented. The approach has been determined to be feasible, and upon its completion the required methodology for accurate performance and heat transfer CFD analyses for high pressure, tri-propellant propulsion systems will be available.

Farmer, R. C.↗

Ionospheric Simulation System for Satellite Observations and Global Assimilative Model Experiments - ISOGAME

Modeling and imaging the Earth's ionosphere as well as understanding its structures, inhomogeneities, and disturbances is a key part of NASA's Heliophysics Directorate science roadmap. This invention provides a design tool for scientific missions focused on the ionosphere. It is a scientifically important and technologically challenging task to assess the impact of a new observation system quantitatively on our capability of imaging and modeling the ionosphere. This question is often raised whenever a new satellite system is proposed, a new type of data is emerging, or a new modeling technique is developed. The proposed constellation would be part of a new observation system with more low-Earth orbiters tracking more radio occultation signals broadcast by Global Navigation Satellite System (GNSS) than those offered by the current GPS and COSMIC observation system. A simulation system was developed to fulfill this task. The system is composed of a suite of software that combines the Global Assimilative Ionospheric Model (GAIM) including first-principles and empirical ionospheric models, a multiple- dipole geomagnetic field model, data assimilation modules, observation simulator, visualization software, and orbit design, simulation, and optimization software.

Pi, Xiaoqing↗

NEEMO 20: Science Training, Operations, and Tool Development

The 20th mission of the National Aeronautics and Space Administration (NASA) Extreme Environment Mission Operations (NEEMO) was a highly integrated evaluation of operational protocols and tools designed to enable future exploration beyond low-Earth orbit. NEEMO 20 was conducted from the Aquarius habitat off the coast of Key Largo, FL in July 2015. The habitat and its surroundings provide a convincing analog for space exploration. A crew of six (comprised of astronauts, engineers, and habitat technicians) lived and worked in and around the unique underwater laboratory over a mission duration of 14-days. Incorporated into NEEMO 20 was a diverse Science Team (ST) comprised of geoscientists from the Astromaterials Research and Exploration Science (ARES/XI) Division from the Johnson Space Center (JSC), as well as marine scientists from the Department of Biological Sciences at Florida International University (FIU). This team trained the crew on the science to be conducted, defined sampling techniques and operational procedures, and planned and coordinated the science focused Extra Vehicular Activities (EVAs). The primary science objectives of NEEMO 20 was to study planetary sampling techniques and tools in partial gravity environments under realistic mission communication time delays and operational pressures. To facilitate these objectives two types of science sites were employed 1) geoscience sites with available rocks and regolith for testing sampling procedures and tools and, 2) marine science sites dedicated to specific research focused on assessing the photosynthetic capability of corals and their genetic connectivity between deep and shallow reefs. These marine sites and associated research objectives included deployment of handheld instrumentation, context descriptions, imaging, and sampling; thus acted as a suitable proxy for planetary surface exploration activities. This abstract briefly summarizes the scientific training, scientific operations, and tool development conducted during NEEMO 20 with an emphasis on the primary lessons learned.

Graff, T.↗

Spreadsheets for Analyzing and Optimizing Space Missions

XCALIBR (XML Capability Analysis LIBRary) is a set of Extensible Markup Language (XML) database and spreadsheet- based analysis software tools designed to assist in technology-return-on-investment analysis and optimization of technology portfolios pertaining to outer-space missions. XCALIBR is also being examined for use in planning, tracking, and documentation of projects. An XCALIBR database contains information on mission requirements and technological capabilities, which are related by use of an XML taxonomy. XCALIBR incorporates a standardized interface for exporting data and analysis templates to an Excel spreadsheet. Unique features of XCALIBR include the following: It is inherently hierarchical by virtue of its XML basis. The XML taxonomy codifies a comprehensive data structure and data dictionary that includes performance metrics for spacecraft, sensors, and spacecraft systems other than sensors. The taxonomy contains >700 nodes representing all levels, from system through subsystem to individual parts. All entries are searchable and machine readable. There is an intuitive Web-based user interface. The software automatically matches technologies to mission requirements. The software automatically generates, and makes the required entries in, an Excel return-on-investment analysis software tool. The results of an analysis are presented in both tabular and graphical displays.

Some, Raphael R.↗

Coupling of high-resolution mass spectrometer and photosynthesis system for comprehensive leaf volatile metabolite profiling

Background Leaf-level biogenic volatile organic compounds (BVOCs) emissions represent a major source of organic gases in the atmosphere, influencing both climate and air quality. These emissions are strongly driven by environmental perturbations, which affect individual plant- to ecosystem-level processes. Uncovering all the BVOCs and understanding how their emissions respond to altered environmental conditions provide critical insights into vegetation-driven changes in atmospheric chemistry. We developed a tandem instrumentation setup that integrates a proton transfer reaction time-of-flight mass spectrometer (PTR-ToF-MS) with parts-per-trillion detection limits and a photosynthetic infrared gas exchange system for the untargeted survey of all the BVOCs. This novel system enables simultaneous, real-time monitoring of BVOC emissions and photosynthetic parameters at the leaf level, offering new opportunities to disentangle the physiological and environmental drivers of VOC release. Furthermore, we established the VOC Analysis and Processing Optimization Resource (VAPOR), an open-access software tool designed for rapid data post-processing and the analysis of the variability of hundreds of BVOCs. We assessed the performance of the tandem system under varying background conditions, using standard gas mixtures and a range of environmental factors. Results Blank emissions were substantially lower for major BVOCs (e.g., isoprene) compared to those observed in plant emissions. Despite this, the observation of background-level VOCs highlights the importance of routinely acquiring and accounting for blank measurements in analyses using the coupled instrumentation. Introduction of known VOC concentrations to the system demonstrated a linear response across different compounds with varying molecular compositions, indicating minimal gas loss regardless of chemical moieties within the coupled instrumentation. We applied the optimized system to investigate the physiological mechanisms driving BVOC emissions across different genotypes of poplar and pennycress. The high mass resolution capabilities of the PTR-ToF-MS, coupled with comprehensive VAPOR-driven data analysis, enabled the identification of several important BVOCs, including methanol and methanethiol; these BVOCs displayed substantial variation across pennycress genotypes and showed concentrations ~ 100–350% higher than the blank. Moreover, isoprene emissions varied significantly among poplar genotypes grown in different potting media. Conclusions Tandem instrumentation offers a powerful tool for profiling volatile molecular markers and elucidating their genetic and environmental underpinnings. This approach enhances our ability to predict BVOC emissions in response to genotype by environmental interactions and contributes to a deeper understanding of vegetation responses to environmental changes.

Biogenic volatile organic compounds↗

Supporting Hazard Analysis for Wildfire Response Using fmdtools and MIKA

The System Wide Safety (SWS) Safety Demonstrator (SD) Series drives development of an increasingly capable In-Time Aviation Safety Management System (IASMS) focusing on humanitarian applications, starting with wildfire response (SD-1). The goals of this report are to (1) provide an early hazard analysis and mitigation evaluation of wildfire response to support these efforts and (2) provide a demonstration of capabilities of the Fault Model Design Tools (fmdtools) and Manager for Intelligent Knowledge Access (MIKA) tools. fmdtools provides a modeling, simulation, and resiliency analysis framework in which a wildfire response model, the System Modeling and Analysis of Resiliency in Scalable Traffic Management for Emergency Response Operations (SMARt-STEReO), is built. MIKA is an intelligent knowledge manager with several capabilities, including assisting in hazard analysis by extracting and analyzing hazards from historical incident reports. The following topics are covered in the report: Understanding Wildfire Hazard Dynamics. We provide a description and simulated examples of how hazards occur in the SMARt-STEReO model of wildfire response and their effect on its outcome. This provides a common mental model and focuses the analysis presented in the remainder of the report. Wildfire Hazard Identification. MIKA identifies wildfire hazards from three relevant datasets: the ICS-209-PLUS, SAFECOM, and SAFENET. Hazards are manually organized into a taxonomy and MIKA analyzes each hazard’s effects, likelihood, severity, and risk. Evaluating Mitigation Strategies. The SMARt-STEReO wildfire response model built in fmdtools evaluates a subset of identified hazards. Specifically, we simulate the effect of communications faults and equipment faults on operator safety, the effect of changing winds and flammability, and a scenario with multiple ignition points and heavy smoke. Tool Limitations and Usage Considerations. We provide a discussion of appropriate tool use cases as well as limitations and considerations for usage. The tool findings are used to synthesize recommendations for wildfire response operations, which can be captured as part of an IASMS. Key recommendations are as follows: Hazards are identified from a broad spectrum of sources including aircraft subsystems, operational sources, and ground crew operations. Highest risk operational environment hazards identified are Evacuations. The highest risk manned aerial operations hazard categorized is Jumper Operations Mishap. Ground crew hazards that are highest risk are Burns, Cargo Operations Overhead, Dehydration, Entrapment, Falling Objects, Heart Attacks, Heat Exhaustion, Inadequate Training or Certification, Vehicle Breakdown, and Vehicle Collision. Modelled containment failures arise from a mismatch between the difficulty of the firefighting scenario and the capacity (e.g., speed, effectiveness, awareness) of the response. In firefighting scenarios where containment is possible (e.g., because the fire does not spread too quickly), these mismatches can occur because of a change in environmental conditions (e.g., wind, flammability, etc) or because of planning, equipment, or communications faults. Improvements to communications increase the capacity of the firefighting response by reducing the time needed to respond to the fire. While surveillance does not increase this capacity by itself, it increases operator safety by increasing state awareness, enabling firefighters to evade approaching fires. Increasing both has a synergistic effect. In general, these performance and resilience increases generalize over fault scenarios as well as unforeseen changes to circumstances (i.e., wind, aridity, etc.). However, these improvements need to be designed so as not to make the system prone to persistent large-scale communications outages, which can reduce performance.

Hazard analysis↗

The Gandalf Staff: A Mobile Tool for Lunar Exploration (2nd year of development)

The Gandalf Staff is a mobile tool designed to be a flexible device supporting crewed and uncrewed operations on the lunar surface. The core of the device is a 24v battery with communications and data storage systems. Initial optional components supporting crewed Extra-Vehicular Activity (EVA) include a LiDAR and 360˚ camera. These provide 3D mapping of the traverse for documentation, and to aid future planning. The mapping also creates outreach opportunities for the public to “stand beside” the astronaut in Virtual Reality (VR). The staff provides external lighting for field site illumination in the south polar region low sun angle environment. Navigation instruments for crew position determination with Lunar Search and Rescue (LunaSAR) are also included. The staff itself can be used as a walking aid or as a splint for Incapacitated Crew Rescue (ICR). As a stand-alone device, the staff operates as a long duration untended science platform collecting environmental data and sending it to a lunar base station. The stand-alone mode requires connection to an auxiliary power source (e.g. solar array) and energy storage system (e.g. battery), so it could become an electrical recharging station. To make rapid progress in the 1st year, and also to demonstrate innovative project management techniques, NASA guided a private industry partner, T STAR, in leading Capstone Engineering student teams at Texas A&M University (TAMU) for proof-of-concept development and testing. These teams developed the power system and demonstrated successful integration of LiDAR, WiFi communications, and external lighting subsystems. Another industry team at Jacobs Technology prototyped a tripod to hold the staff upright. For the 2nd year (FY’22), NASA will again collaborate with partners to prototype enhanced power and lighting concepts. Year 2 will also add new capability for LunaSAR and geophysical science instrumentation using a heat probe. The heat probe is based upon Apollo heritage but modified to measure subsurface volatile ice regimes at the Artemis landing site. Components of the Gandalf Staff can be developed, tested, and deployed independently, or on the integrated staff, rovers, or utility trailers. The project supports crew safety, lunar sample curation, mission science, and public outreach goals of NASA. PLAIN TEST SUMMARY: Gandalf Staff is a 24v battery powered mobile tool for the lunar surface supporting crewed geologic field site exploration, or as a stand-alone science platform. As a tool assisting astronauts conducting field geology, the Gandalf Staff provides external lighting to illuminate shadowed regions on the surface. It also documents the process of collecting rocks and dust samples using a LiDAR (laser range instrument) and cameras. The staff provides a beacon for emergency location of astronauts and augments communications when the astronauts are blocked by large boulders. As a standalone science platform, the Gandalf Staff provides a power system for instruments and sensors to measure the lunar environment over long periods of time. The staff gathers data and sends the results to a lunar base station for analysis.

External Lighting↗

A framework for challenges and solutions in biodesign research

The bioeconomy represents an advanced economic paradigm that builds upon previous agricultural, industrial, and digital economic models. It seeks to tackle critical global challenges such as resource scarcity, escalating healthcare demands, and environmental degradation. At the heart of the bioeconomy is biomanufacturing, which uses natural or engineered enzymes or cell factories built from ​biological components like promoters, terminators, regulatory sequences, reporters, and functional genes into various chassis hosts (including animal, microbial, plant, and de novo systems) to create products such as food, energy, medicine, materials, chemicals, and engineered tissue/organs. An enabler of biomanufacturing is biodesign – also known as biosystems design and closely related to synthetic biology or engineering biology. This interdisciplinary field aims to understand and predictably modify existing life forms or create entirely new biological entities/systems using rational engineering strategies and automated design tools. Through these capabilities, biodesign supports the discovery, optimization, and creation of efficient platforms for biomanufacturing.

59 BASIC BIOLOGICAL SCIENCES↗

Rate expressions and kinetic parameters for metal ferrites in relation to applications of fossil fuel conversion to hydrogen: Part 1 of 2

Here, the goal of the present work was to provide the necessary reaction emulation information to enable detailed process simulation of a chemical looping H 2 production system from fossil fuels using CaFe 2 O 4 . This specifically pertained to the necessary kinetic data, reaction model development, and model rate parameters required for reaction emulation in both reducing and oxidizing environments. A logical methodology was defined, which included discretization of the reaction network, establishing a core model for reaction emulation that could be adapted based on the system phenomena, and development of a rate parameter regression tool designed around the core model. An extensive array of data sets was acquired by which parametric regressions were performed. The work presented and tabulated a comprehensive set of rate parameters for the reduction and oxidation reactions of CaFe 2 O 4 and descendent phases of Ca 2 Fe 2 O 5 , FeO, Fe 3 O 4 , Fe, and CaO to emulate reaction behavior in a looping-based process environment. This included direct reduction using CH 4 , H 2 , and CO, and direct oxidation reactions with steam, CO 2 and O 2 . Dynamic equilibrium was quantified for reactions that could utilize H 2 O and CO 2 as soft oxidants to re-saturate lattice oxygen in the depleted structure/phases. The kinetics associated with the oxidative mechanisms with the soft oxidants were quantified and compared to those of the reducing counterparts. The analysis provided critical insight to emulate reactions for a process that seeks to use natural gas (NG) or other fossil fuels as a direct reductant for the end goal of H 2 production.

calcium ferrite oxygen carriers↗

3D printed carbon fiber reinforced carbon as an energy efficient alternative to graphite for EFAS tooling

As Electric Field Assisted Sintering (EFAS) gains more industrial acceptance and use, it becomes more important to develop more efficient means to implement this technology. To this aim, 3D printed continuous carbon fiber reinforced carbon (CCC) was manufactured and fabricated into tooling for EFAS systems as an alternative to traditional graphite tooling. The impact of fiber orientation on the thermal and electrical properties of the CCC was characterized. Sample material was sintered in Tokai G535 graphite tooling, under common processing conditions and compared with CCC tooling. There was nearly 50 % energy savings compared to graphite while maintaining equivalent sample density and microstructure plus keeping ram temperatures 39 % cooler. This is due to spatial control of generated heat and thermal diffusivity within the molds, by means of fiber orientation anisotropy. Finite element modeling of the tooling design supported the experimental results as well as displays the effect of optimization of this 3D printed CCC material.

36 MATERIALS SCIENCE↗

TRANSP integrated modeling code for interpretive and predictive analysis of tokamak plasmas

This paper provides a comprehensive review of the TRANSP code, a sophisticated tool for interpretive and predictive analysis of tokamak plasmas, detailing its major capabilities and features. It describes the equations for particle, power, and momentum balance analysis, as well as the poloidal field diffusion equations. The paper outlines the spatial and time grids used in TRANSP and details the equilibrium assumptions and solvers. Various models for heating and current drive and radiation, including updates to the NUBEAM model, are discussed. The handling of large-scale events such as sawtooth crashes and pellet injections is examined, along with the predictive capabilities for advancing plasma profiles. The integration of TRANSP with the ITER Integrated Modeling and Analysis Suite (IMAS) is highlighted, demonstrating enhanced data access and analysis capabilities. Additionally, the paper discusses best practices and continuous integration techniques to enhance TRANSP's robustness. The suite of TRANSP tools, designed for efficient data analysis and simulation, further supports the optimization of tokamak operations and coupling with other tokamak codes. Continuous development and support ensure that TRANSP remains a major code for the analysis of experimental data for controlled thermonuclear fusion, maintaining its critical role in supporting the optimization of tokamak operations and advancing fusion research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Comprehensive Chemistry Evaluation and Diagnostics Package for E3SM – ChemDyg Version 1.1.0

The Chemistry Evaluation and Diagnostics Package (ChemDyg) is an open-source tool designed for the Energy Exascale Earth System Model (E3SM) developed by the U.S. Department of Energy. ChemDyg facilitates routine evaluation, tailored development, and in-depth analysis of atmospheric chemistry through its modular architecture, allowing users to compare model outputs with observational data. Version 1.1.0 introduces a robust set of diagnostic capabilities, including climatology, time evolution of key tracers, diurnal and annual cycle analyses, and extensive budget diagnostics. These features help identify model discrepancies and enhance the representation of atmospheric chemistry in E3SM. Each self-contained diagnostic set includes dedicated scripts and documentation for ease of use. The interactive HTML output improves data accessibility, accelerating chemistry model development. Additionally, ChemDyg's flexible framework allows for customization, enabling users to create unique diagnostic sets for specific scientific contributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗

Engineering Small HOMO–LUMO Gaps in Polycyclic Aromatic Hydrocarbons with Topologically Protected States

Topological phases in laterally confined low-dimensional nanographenes have emerged as versatile design tools that can imbue otherwise unremarkable materials with exotic band structures ranging from topological semiconductors and quantum dots to intrinsically metallic bands. The periodic boundary conditions that define the topology of a given lattice have thus far prevented the translation of this technology to the quasi-zero-dimensional (0D) domain of small molecular structures. Here, we describe the synthesis of a polycyclic aromatic hydrocarbon (PAH) featuring two localized zero modes (ZMs) formed by the topological junction interface between a trivial and nontrivial phase within a single molecule. First-principles density functional theory calculations predict a strong hybridization between adjacent ZMs that gives rise to an exceptionally small HOMO–LUMO gap. Scanning tunneling microscopy and spectroscopy corroborate the molecular structure of 9/7/9-double quantum dots and reveal an experimental quasiparticle gap of 0.16 eV, corresponding to a carbon-based small molecule long-wavelength infrared (LWIR) absorber.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Statistical Analysis of Intertube Tunneling Contacts in the Macroscopic Electrical Conductivity of Carbon Nanotube Fibers

Here, this study investigates the influence of tunneling contact resistances between carbon nanotubes (CNTs) on electron transport and electrical conductivity of macroscopic carbon nanofibers (CNFs), which profoundly impacts the performance of CNT thin film electronics, CNF electron emitters and cathodes, and energy conversion and storage devices. Utilizing a self-consistent electrical contact model coupling a transmission line model with tunneling current, we calculate the contact resistances of a plethora of CNT-CNT contacts within a CNF fiber, which consists of aligned, densely packed CNTs. A statistical analysis is conducted, using Gaussian distributions to account for variations in contact lengths, tunneling gap distances, and single CNT aspect ratios, to calculate the CNT-CNT contact resistance and the overall resistance of CNT fiber. By scaling our model to a macroscopic level, our results are in good agreement with experimental measurements. Our calculation suggests that while increasing the contact overlap length diminishes individual CNT-CNT contact resistance, it could paradoxically increase macroscopic CNT fiber resistance for a given constant CNF mass density, which is due to that fact that a larger overlap length allows more CNTs to pack along an electrical conduction path per unit length, leading to more tunneling contact junctions connected in series and thus less number of parallel conduction paths within the fiber cross section. Increasing tunneling gap distance increases both individual contact and overall fiber resistance. This research provides a simple design tool for tailoring CNT fiber electrical properties to promote real-world applications using CNTs or similar low-dimensional materials.

36 MATERIALS SCIENCE↗