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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.

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At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

First principles study of nearly strain-free Ni/WSe 2 and Ni/MoS 2 interfaces

Metal/transition metal dichalcogenide interfaces are the subject of active research, in part because they provide various possibilities for interplay of electronic and magnetic properties with potential device applications. Here, we present results of our first principles calculations of nearly strain-free Ni/WSe 2 and Ni/MoS 2 interfaces in thin-film geometry. It is shown that while both the WSe 2 and MoS 2 layers adjacent to Ni undergo metallic transition, the layers farther from the interface remain semiconducting. In addition, a moderate value of spin-polarization is induced on interfacial WSe 2 and MoS 2 layers. At the same time, the electronic and magnetic properties of Ni are nearly unaffected by the presence of WSe 2 and MoS 2 , except a small reduction of magnetic moment at the interfacial Ni atoms. Furthermore, these results can be used as a reference for experimental efforts on epitaxial metal/transition metal dichalcogenide heterostructures, with potential application in modern magnetic storage devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Tuning electrical and interfacial thermal properties of bilayer MoS2 via electrochemical intercalation

Layered two-dimensional (2D) materials such as MoS 2 have attracted much attention for nano- and opto-electronics. Recently, intercalation (e.g. of ions, atoms, or molecules) has emerged as an effective technique to modulate material properties of such layered 2D films reversibly. We probe both the electrical and thermal properties of Li-intercalated bilayer MoS 2 nanosheets by combining electrical measurements and Raman spectroscopy. Furthermore, we demonstrate reversible modulation of carrier density over more than two orders of magnitude (from 0.8 × 10 12 to 1.5 × 10 14 cm -2 ), and we simultaneously obtain the thermal boundary conductance between the bilayer and its supporting SiO 2 substrate for an intercalated system for the first time. This thermal coupling can be reversibly modulated by nearly a factor of eight, from 14 ± 4.0 MW m -2 K -1 before intercalation to 1.8 ± 0.9 MW m -2 K -1 when the MoS 2 is fully lithiated. These results reveal electrochemical intercalation as a reversible tool to modulate and control both electrical and thermal properties of 2D layers.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Phase diagrams of single-layer two-dimensional transition metal dichalcogenides: Landau theory

We report single layer (SL) two-dimensional transition metal dichalcogenides (TMDs), such as MoS 2 , ReS 2 , WSe 2 , and MoTe 2 have now become the focus of intensive fundamental and applied research due to their intriguing and tunable physical properties. These materials exhibit a broad range of structural phases that can be induced via elastic strain, chemical doping, and electrostatic field effect. These transformations, in turn, can open and close the band gap of SL-TMDs, leading to metal-insulator transitions, and lead to emergence of more complex quantum phenomena. These considerations necessitate detailed understanding of the mesoscopic mechanisms of these structural phase transitions. Here we develop a Landau-type thermodynamic description of SL-TMDs on a sample of the SL-(MoS 2 ) 1-x -(ReS 2 ) x system and analyze the free energy surfaces, phase diagrams, and order parameter behavior. Our results predict the existence of multiple structural phases with two-, six- and 12-fold degenerated energy minima for in-plane and out-of-plane order parameters. This analysis suggests that out-of-plane ferroelectricity can exist in many of these phases, with the switchable polarization being proportional to the out-of-plane order parameter. We further predict that the domain walls in SL-(MoS 2 ) 1-x -(ReS 2 ) x should become conductive above a certain strain threshold.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials

Time-resolved diffuse scattering experiments have gained increasing attention due to their potential to reveal nonequilibrium dynamics of crystal lattice vibrations with full momentum resolution. Although progress has been made in interpreting experimental data on the basis of one-phonon scattering, understanding the role of individual phonons can be sometimes hindered by multiphonon excitations. In Ref. [M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer, Phys. Rev. Lett. 127, 207401 (2021)], we have introduced a rigorous approach for the calculation of the all-phonon inelastic scattering intensity of solids from first-principles. In the present work, we describe our implementation in detail and show that multiphonon interactions are captured efficiently by exploiting translational and time-reversal symmetries of the crystal. We demonstrate its predictive power by calculating the scattering patterns of monolayer molybdenum disulfide (MoS 2 ), bulk MoS 2 , and black phosphorus (bP), and we obtain excellent agreement with our measurements of thermal electron diffuse scattering. Remarkably, our results show that multiphonon excitations dominate in bP across multiple Brillouin zones, while in MoS 2 they play a less pronounced role. We expand our analysis for each system and examine the effect of individual atomic and interatomic vibrational motion on the diffuse scattering signals. We further demonstrate the high-throughput capability of our approach by reporting all-phonon scattering maps of two-dimensional MoSe 2 , WSe 2 , WS 2 , graphene, and CdI 2 , rationalizing in each case the effect of multiphonon processes. As a side point, we show that the special displacement method reproduces the thermally distorted configuration that generates precisely the all-phonon diffuse pattern. In conclusion, the present methodology opens the way for systematic calculations of the scattering intensity in crystals and the accurate interpretation of static and time-resolved inelastic scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Imaging Electrons in Two Dimensional Materials (Final report)

Two-dimensional (2D) materials have extraordinary characteristics that offer promising new approaches for science and technology. Electrons in graphene can move ballistically through a sheet, even though it is only a single atom thick. And transition metal dichalcogenide materials can be cleaved into 2D flakes of all types – metals, semiconductors, insulators, magnetic materials, and superconductors. To benefit from these discoveries, the science needs to be understood to transform 2D materials into useful new devices and systems. The evolution in time of atomic scale graphene structures has been studied in time with a transmission electron microscope (TEM), and ballistic transport of electrons in graphene was been imaged using a cooled scanning probe microscope (SPM), as well as electron motion in MoS 2 . Graphene is only one atom thick but is extremely strong, creating the opportunity to fabricate atomic scale structures in the lateral direction. Using an atomic resolution TEM, a suspended sheet of graphene can be shaped by a Si impurity atom on its surface that acts like a chisel to open up apertures, one atom at a time. The electrons in the TEM provide both the chiseling energy and the ability to image the results. Electrons and holes in graphene form a new type of electronic system with conical conduction and valence bands that meet at the Dirac point, with no energy gap. For moderate densities, the carriers form a Fermi liquid with ballistic transport over micron-scale distances. Using a cooled SPM the cyclotron orbit of electrons in graphene has been imaged. In the magnetic focusing regime, electrons leaving a point contact circle around and leave from a second point contact when the cyclotron diameter is equal to the contact spacing. The paths of electrons are focused - they enter at different angles but converge again at the exiting contact. When the SPM tip knocks an electron out of its orbit, an imaging signal is created. The ballistic motion of carriers in graphene opens the way for ballistic devices that manipulate beams of electrons and holes. Our collaborator Gil-Ho Lee, in Philip Kim's group, created a collimating contact by placing zig-zag absorbers on either side of entering electrons. Our cooled SPM was used to image the electron beam and determine its 9-degree halfwidth. By changing the gate voltage, a collimated beam of holes was also created, opening the way for colliding beam experiments. Coherent beams of carriers are desirable for quantum information processing. Via Andreev reflection, superconducting contacts can covert Cooper pairs in a superconductor to an ingoing and outgoing electrons and holes. Using our cooled SPM, Andreev reflection was imaged from a superconducting contact on a graphene device. Magnetic focusing was used to create an incoming beam of electrons and an outgoing beam of holes, detected by a third point contact. The images show a clear transition from normal reflection above the superconducting transition temperature to Andreev reflection as the device is cooled. Transition metal dichalcogenides offer a wide array of materials that can be exfoliated into ultrathin 2D sheets. A cooled SPM can be used to detect quantum dots as well as to image electron flow. The tip charge capacitively couples to electrons on the dot, acting as a gate to tune the dot conductance. Coulomb blockade peaks appear as a bullseye pattern in an SPM image as the tip is raster scanned above the dot. This approach was used to detect quantum dots in a MoS 2 channel as the carrier density was reduced and electrons pooled in low energy points. Through our DOE supported research, cooled SPM imaging has proven to be a very useful tool to uncover the motion of electrons and holes in the new quantum materials graphene and MoS 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Scalable & Non-Destructive Characterization Strategy to Study Semiconductor/Dielectric Interfaces and Predict Wafer-Level Device Performance

The defect density present at the dielectric-semiconductor interface in an MOS structure directly influences the channel carrier characteristics in semiconductor devices, especially in wide bandgap material systems used in power devices. While these trap defects are typically quantified through electrical characterization of MOS-capacitor test structures, this treatment offers very little insight into the physical nature of interface defects. Such shortcomings demand a physical characterization strategy to guide fabrication optimization. X-ray photoelectron spectroscopy (XPS) is suggested as a viable technique to determine chemical data for dielectric interfaces formed using atomic layer deposition (ALD) on GaN substrates. Previously, 1-D XPS characterization has confirmed the presence of a Ga x O y interlayer between ALD dielectrics and the GaN substrate. In this work, XPS data is serially collected to form 2-D images of an ALD-Al 2 O 3 /GaN interface as a proof-of-concept experiment for in-situ XPS quality monitoring during ALD processing. The information provided by this work reveals some of the challenges for incorporating XPS characterization as an in-situ strategy during fabrication of GaN-based devices. Separately, electrical mapping of a 2-D array of ALD-Al 2 O 3 /GaN MOS-capacitor devices provide a means to quantify the spatial variations in interface quality across a single wafer. Physical characterization techniques, such as time-of-flight secondary ion mass spectroscopy, provide additional chemical information about the Al 2 O 3 /Ga x O y /GaN structure that complement the electrical mapping results. This analysis shows that a higher Ga x O y content correlates with higher interface state defects for trap energies deep in the band gap.

42 ENGINEERING↗
NASA NTRS1971

Nonvolatile read/write memory element - A concept

Bidirectional MOS driver, integrated with diode matrix reduces fuse read current to only that of junction leakage and transient MOS gate charging current. No current, except junction leakage current, flows in unaddressed cells. Current required to drive MOS gate flows through unfused branch only during read mode.

Cricchi, J. R.↗
NASA NTRS1976

High and low threshold P-channel metal oxide semiconductor process and description of microelectronics facility

The fabrication techniques and detail procedures for creating P-channel Metal-Oxide-Semiconductor (P-MOS) integrated circuits at George C. Marshall Space Flight Center (MSFC) are described. Examples of P-MOS integrated circuits fabricated at MSFC together with functional descriptions of each are given. Typical electrical characteristics of high and low threshold P-MOS discrete devices under given conditions are provided. A general description of MSFC design, mask making, packaging, and testing procedures is included. The capabilities described in this report are being utilized in: (1) research and development of new technology, (2) education of individuals in the various disciplines and technologies of the field of microelectronics, and (3) fabrication of many types of specially designed integrated circuits which are not commercially feasible in small quantities for in-house research and development programs.

Bouldin, D. L.↗
NASA NTRS1976

Prediction and measurement of radiation damage to CMOS devices on board spacecraft

The CMOS Radiation Effects Measurement (CREM) experiment is presently being flown on the Explorer-55. The purpose of the experiment is to evaluate device performance in the actual space radiation environment and to correlate the respective measurements to on-the-ground laboratory irradiation results. The experiment contains an assembly of C-MOS and P-MOS devices shielded in front by flat slabs of aluminum and by a practically infinite shield in the back. Predictions of radiation damage to C-MOS devices are based on standard environment models and computational techniques. A comparison of the shifts in CMOS threshold potentials, that is, those measured in space to those obtained from the on-the-ground simulation experiment with Co-60, indicates that the measured space damage is smaller than predicted by about a factor of 2-3 for thin shields, but agrees well with predictions for thicker shields.

Cliff, R. A.↗
NASA NTRS1975

Investigation of field induced trapping on floating gates

The development of a technology for building electrically alterable read only memories (EAROMs) or reprogrammable read only memories (RPROMs) using a single level metal gate p channel MOS process with all conventional processing steps is outlined. Nonvolatile storage of data is achieved by the use of charged floating gate electrodes. The floating gates are charged by avalanche injection of hot electrodes through gate oxide, and discharged by avalanche injection of hot holes through gate oxide. Three extra diffusion and patterning steps are all that is required to convert a standard p channel MOS process into a nonvolatile memory process. For identification, this nonvolatile memory technology was given the descriptive acronym DIFMOS which stands for Dual Injector, Floating gate MOS.

Gosney, W. M.↗
NASA NTRS1981

CADAT field-effect-transistor simulator

CADAT field-effect transistor simulator (FETSIM) analyzes dc and transient behavior of metal-oxide-semiconductor (MOS) circuits. Both N-MOS and P-MOS transistor configurations in either bulk of silicon-on-sapphire (SOS) technology and almost any combination of R/C elements are analyzed.

Source record↗
NASA NTRS1993

Toward lowering the cost of mission operations

The mission operations system is one of the more significant drivers of the cost of the mission operations and data analysis segment of missions. In large or long-lived projects, the MOS can also be a driver in total mission cost. Larger numbers of missions, together with an increasingly cost-conscious environment, dictate that future missions must more strictly control costs as they perform to their requirements. It is therefore prudent to examine the conduct of past missions for ways to conserve resources. In this paper we review inputs made to past projects' 'lessons-learned' activities, in which personnel from past projects (among other things) identified major cost drivers of MOS's and considered how economies were or might have been realized in both design and performance of their MOS. Common themes among four such reviews are summarized in an attempt to provide suggestions for cost reduction in future missions.

Wall, S. D.↗
NASA NTRS2014

A Multifaceted Approach to Modernizing NASA's Advanced Multi-Mission Operations System (AMMOS) System Architecture

The Advanced Multi-Mission Operations Systems (AMMOS) is NASA's premier space mission operations product line offering for use in deep-space robotic and astrophysics missions. The general approach to AMMOS modernization over the course of its 29-year history exemplifies a continual, evolutionary approach with periods of sponsor investment peaks and valleys in between. Today, the Multimission Ground Systems and Services (MGSS) office-the program office that manages the AMMOS for NASA-actively pursues modernization initiatives and continues to evolve the AMMOS by incorporating enhanced capabilities and newer technologies into its end-user tool and service offerings. Despite the myriad of modernization investments that have been made over the evolutionary course of the AMMOS, pain points remain. These pain points, based on interviews with numerous flight project mission operations personnel, can be classified principally into two major categories: 1) information-related issues, and 2) process-related issues. By information-related issues, we mean pain points associated with the management and flow of MOS data across the various system interfaces. By process-related issues, we mean pain points associated with the MOS activities performed by mission operators (i.e., humans) and supporting software infrastructure used in support of those activities. In this paper, three foundational concepts-Timeline, Closed Loop Control, and Separation of Concerns-collectively form the basis for expressing a set of core architectural tenets that provides a multifaceted approach to AMMOS system architecture modernization intended to address the information- and process-related issues. Each of these architectural tenets will be further explored in this paper. Ultimately, we envision the application of these core tenets resulting in a unified vision of a future-state architecture for the AMMOS-one that is intended to result in a highly adaptable, highly efficient, and highly cost-effective set of multimission MOS products and services.

Estefan, Jeff A.↗
NASA NTRS2016

A Structured, Model-Based Systems Engineering Methodology for Operations System Design

Two widely accepted techniques for lowering the cost and risk of developing systems are (1) the use of a defined systems engineering (SE) process or methodology and (2) the reuse of existing (previously built) system components. The first technique is represented, for example, in materials published by NASA (e.g., NASA Systems Engineering Handbook) or by professional societies such as INCOSE (International Council on Systems Engineering). Well-formed SE techniques provide value by establishing the proper scope of the system (e.g., requirements), and by identifying and resolving problems relatively early in project lifecycles, when fixes are less expensive. The second technique (reuse) is applied most commonly to hardware and software; it seeks to avoid replicating design and implementation costs while also reducing risk by placing proven capabilities into operational use. In this paper, we outline a methodology combining these two techniques and extending reuse beyond hardware and software to foundational aspects of a Mission Operation System’s (MOS) design. We describe the system design artifacts that result (e.g., requirements, design documentation), as well as the reusable patterns and elements of the design, and their interrelationships. This approach is enabled by model-based systems engineering (MBSE) techniques and tools and is currently available in SysML form as a plug-in to MagicDraw. Additionally, usage of a rigorous MBSE approach allows for training materials and tutorials to be packaged within the overall model itself. The results of such an approach include decreased cost and risk during the design phase, improved ability of the MOS development team to investigate trade spaces and identify impacts to important flight-ground trade studies. Such results extend into decreased costs and risk in later phases due to improved design, decreased need for late fixes or development of "glue-ware" or scripts to fill unanticipated gaps in functionality, and improved ability to identify and plan testing and other validation activities. Finally, lower operational costs can be expected, both due to improved quality of the MOS, increased ease of maintaining updated knowledge of system configuration, and the fact that training and procedural materials are also updated at the same time as accepted system changes.

Bindschadler, Duane L.↗
NASA NTRSDate not supplied

Increased Rates of Hip and Spine Fractures in Astronauts are Associated with Longer Spaceflight Durations

Given the accelerated declines in bone mineral density reported in US astronauts serving on the International Space Station, there is a possibility that a prolonged exposure to spaceflight could put astronauts at increased fracture risk during subsequent planetary explorations or after return to Earth. To date, there have been no fractures in astronauts during spaceflight. Recently-reported data from a flight study suggested that intake of the bisphosphonate alendronate combined with resistive exercise (on the Advanced Resistive Exercise Device – ARED) preserved more astronauts at their preflight skeletal status after a ~6-mos spaceflight than with ARED exercise alone. However, there is low acceptance of alendronate, or the recommended zoledronic acid, to suppress in-flight bone loss largely due to concern for unintended medication side effects and a perceived absence of astronaut fractures that can be directly attributable to spaceflight exposure. Hence, a recent survey of all astronaut fractures was analyzed to assess whether the rate of postflight fractures could be associated with extended spaceflight exposures. The fracture survey was of 262 astronauts across 8433.6 person-years (PY) and grouped according to previous exposure to a “Long Duration (LD)” spaceflight (3 mos or greater, but typically 6-mos). The number of fractures was modeled using count regression adjusting for i) the repeated measures within individuals across the groups, ii) the differing length of surveillance for each individual and iii) age at start of surveillance for each of the groups. Astronaut Group by Spaceflight Exposure #Individuals PY Covered No Exposure to Spaceflight 262 1882.7 No Exposure to LD spaceflight “Non-LD” 232 6121.3 Exposure to LD spaceflight 42 429.6 Analysis revealed an increased rate of hip and spine fractures for surveillance periods compared between LD Exposure and Non-LD Exposure: Hip – Relative Rate: 3.4 (95%CI: 1.0, 12.0); Spine– Relative Rate: 3.4 (95%CI: 1.0, 11.6). For all other skeletal sites, rates of fracture were similar for LD and Non-LD exposures. Data comparisons were conducted between groups of astronauts to preclude the interpretation of greater physical activity in astronauts as a contributing factor to fracture rates. This analysis of fracture data is the first report associating postflight hip and spine fractures in astronauts with exposure to extended duration spaceflights. Further analyses integrating co-morbidities for bone loss are planned.

skeleton↗
DOE OSTI2022

Electrocatalyst comprising a crumpled transition metal dichalcogenide support loaded with monodispersed metal nanoparticles

An electrocatalyst comprises a crumpled transition metal dichalcogenide support loaded with catalytic metal nanoparticles through spontaneous reduction reactions. The support can be prepared by hydrothermal conversion of 2D nanosheets to 3D hierarchically crumpled sheets. As an example, using crumpled MoS 2 as a support, highly tunable Ru loadings were obtained using the electrostatic interaction between MoS 2 and RuCl 3 in solution. Control over Ru loading was leveraged to produce Ru—MoS 2 electrocatalysts that demonstrate different nitrogen reduction reaction activities, and which show varying resistance to electrochemical sintering and deactivation. Further, these high surface area materials can be utilized for many applications, including electrocatalysts, supercapacitors, and batteries.

Percival, Stephen↗
DOE OSTI2023

Sources of error and methods to improve accuracy in interface state density analysis using quasi-static capacitance–voltage measurements in wide bandgap semiconductors

Characterizing interface trap states in commercial wide bandgap devices using frequency-based measurements requires unconventionally high probing frequencies to account for both fast and slow traps associated with wide bandgap materials. The C - ψs technique has been suggested as a viable quasi-static method for determining the interface trap state densities in wide bandgap systems, but the results are shown to be susceptible to errors in the analysis procedure. Here this work explores the primary sources of errors present in the C - ψs technique using an analytical model that describes the apparent response for wide bandgap MOS capacitor devices. Measurement noise is shown to greatly impact the linear fitting routine of the 1/C$^{*2}_s$ vs Ψ s plot to calibrate the additive constant in the surface potential/gate voltage relationship, and an inexact knowledge of the oxide capacitance is also shown to impede interface trap state analysis near the band edge. In addition, a slight nonlinearity that is typically present throughout the 1/C$^{*2}_s$ vs Ψ s plot hinders the accurate estimation of interface trap densities, which is demonstrated for a fabricated n-SiC MOS capacitor device. Methods are suggested to improve quasi-static analysis, including a novel method to determine an approximate integration constant without relying on a linear fitting routine.

42 ENGINEERING↗
NASA NTRS2014

A Model-Based Approach to Developing Your Mission Operations System

Model-Based System Engineering (MBSE) is an increasingly popular methodology for designing complex engineering systems. As the use of MBSE has grown, it has begun to be applied to systems that are less hardware-based and more people- and process-based. We describe our approach to incorporating MBSE as a way to streamline development, and how to build a model consisting of core resources, such as requirements and interfaces, that can be adapted and used by new and upcoming projects. By comparing traditional Mission Operations System (MOS) system engineering with an MOS designed via a model, we will demonstrate the benefits to be obtained by incorporating MBSE in system engineering design processes.

mos↗