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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 73 records · Page 4
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DOE OSTI2025

FY25 Cellular Silicone Foam Friction Testing Summary Report

This effort was a collaboration between LANL groups MPA-CINT, E-13, and V-14 to characterize various properties of foam materials for programmatic work. Specifically, MPA-CINT staff members’ contribution to this effort was to perform friction testing of cellular silicone foams of two different porosities with respect to two engineering materials with predefined surface roughnesses. The selected foams (henceforth serving as the sled material interface exposed to motion) had porosities of 67% and 70% with respect to fabricated values. The other materials used in the friction testing measurement couple (static track material) were 304 Stainless Steel (304 SS) and Very High-Temperature Glass-Mica Ceramic, known as Macor®.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Hetero-junctions of Boron Nitride and Carbon Nanotubes: Synthesis and Characterization

Hetero-junctions of boron nitride nanotubes (BNNTs) and carbon nanotubes (CNTs) are expected to have appealing new properties that are not available from pure BNNTs and CNTs. Theoretical studies indicate that BNNT/CNT junctions could be multifunctional and applicable as memory, spintronic, electronic, and photonics devices with tunable band structures. This will lead to energy and material efficient multifunctional devices that will be beneficial to the society. However, experimental realization of BNNT/CNT junctions was hindered by the absent of a common growth technique for BNNTs and CNTs. In fact, the synthesis of BNNTs was very challenging and may involve high temperatures (up to 3000 degree Celsius by laser ablation) and explosive chemicals. During the award period, we have successfully developed a simple chemical vapor deposition (CVD) technique to grow BNNTs at 1100-1200 degree Celsius without using dangerous chemicals. A series of common catalyst have then been identified for the synthesis of BNNTs and CNTs. Both of these breakthroughs have led to our preliminary success in growing two types of BNNT/CNT junctions and two additional new nanostructures: 1) branching BNNT/CNT junctions and 2) co-axial BNNT/CNT junctions, 3) quantum dots functionalized BNNTs (QDs-BNNTs), 4) BNNT/graphene junctions. We have started to understand their structural, compositional, and electronic properties. Latest results indicate that the branching BNNT/CNT junctions and QDs-BNNTs are functional as room-temperature tunneling devices. We have submitted the application of a renewal grant to continue the study of these new energy efficient materials. Finally, this project has also strengthened our collaborations with multiple Department of Energy's Nanoscale Science Research Centers (NSRCs), including the Center for Nanophase Materials Sciences (CNMS) at Oak Ridge National Laboratory, and the Center for Integrated Nanotechnologies (CINTs) at Sandia National Laboratories and Los Alamos National Laboratory. Results obtained during the current funding period have led to the publication of twelve peer reviewed articles, three review papers, two book and one encyclopedia chapters, and thirty eight conference/seminar presentation. One US provisional patent and one international patent have also been filed.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Nanoparticles Stabilize Thin Polymer Films: A Fundamental Study to Understand the Phenomenon

In this project we have successfully married an experimental theoretical collaboration between the University of Delaware research group and Sandia National Laboratories. To do this Prof. Mackay supervised graduate students, Ms. Erica Tzu-Chia Tseng and Mr. Wenluan Zhang, who performed experiments, and a postdoctoral fellow, Dr. Venkat Padmanabhan, who performed theoretical modeling in his laboratory and interacted with Dr. Amalie Frischknecht, a theoretician at SNL. Drs. Padmanabhan and Frischknecht had weekly teleconferences on Tuesday mornings to discuss progress and had 2-3 face-to-face meetings per year. Dr. Frischknecht was funded on her part through CINT to allow this partnership. This unique collaborative effort of placing a theoretician within a group of experimentalists has tremendously aided experimental progress since the collaborators are intimately familiar with both the experimental and theoretical efforts. Furthermore development of new theoretical tools to interpret experimental results has resulted in rational verification and enhanced investigation of parameter space.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Low Dimensional System Hybrids for Advanced Electronics/Optoelectronics [Slides]

Interacting quantum wells: Type II InAs/GaSb superlattice for high performance infrared detection and imaging – CQD, Northwestern University 2005-2011: – Physics of interacting quantum wells: InAs/GaSb superlattice; – M-structure superlattice; – Materials growth and characterization; – Infrared detector operation and optimization strategies; – Infrared Focal Plane Array (aka. infrared camera). Cylindrical quantum Well In a Nanowire (CWIN): Heterostructuring core/multi-shell nanowires for advanced electronic/optoelectronic devices – CINT,LANL 2012-present: – Si-based Nanowire research overview; – Device physics of NWFETs: Diameter dependence performance; – CWIN design for high performance FET; – Growth and characterization of Si/Ge/Si core/multi-shell NWs; – Towards ultra-short channel length NWFETs.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Summary of NEMO3D Calculations on RedSky

We have been using RedSky to investigate the physics of donor atoms in silicon for use as qubits for quantum computing. Quantum computing promises to dramatically change the performance of certain algorithms; this work is part of a quantum computing project led by Malcolm Carroll. We have investigated the magnitude of energy barriers for transferring electrons between donor centers and to elecrostaticallydefined quantum dots at the silicon oxide interface. Understanding these barriers helps us design structures that we think will be robust to noise and decoherence effects, and will help us understand experimental results as we build preliminary structures. There are only a few other research groups in the world conducting research along these lines. The work has been an important element of understanding the design principles that constrain computing devices at low temperature. We will continue this work in the future, in particular to analyze experimental results we anticipate coming from CINT collaborators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Laser Incident Lessons Learned and Action List

On Thursday November 19, 2015, LANL postdoc received an eye injury from a reflected, nonvisible laser beam (Class 4, pulsed, wavelength 800 nanometer). The setup is configured to split the laser output into two work areas in which qualified operators conduct research experiments. During this incident, the laser output beam was being projected to both experimental work areas, although only one experimental area was actively being used. The second laser beam directed to the second work area was blocked by an inappropriate device (Plexiglas, reflective, non-normal incidence) that reflected substantial portion of the beam toward the first setup. In preparation for the measurements, worker stepped on the stepstool and decided to remove the laser goggles to better see the micrometer readings which were difficult to see due to insufficient lighting. Immediately, he noticed a flash of light in his eye. The operator quickly replaced the laser eye-wear and then, using an infrared viewer, located a stray laser beam being reflected from the plexiglas beam block. The operator did not think he had sustained any injury and continued working. Later that day, however, he noticed a blurry spot in the vision of his left eye. He notified his supervisor on Friday morning, November 20, 2015, and was taken by CINT management to Sandia National Laboratories (SNL) medical facility for evaluation. SNL Medical did not find any abnormalities, but referred the operator to a local ophthalmologist for further evaluation. Further evaluations by the ophthalmologist on November 21 and November 23 identified a small spot of inflammation near the fovea on the retina in his left eye. The ophthalmologist stated that this spot would most likely heal on its own and that the blurry spot on the operator's vision would go away. A follow-up visit was scheduled. The employee was released back to work without restrictions.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2016

VO 2 thin films synthesis for collaborators and various applications.

Vanadium dioxide (VO 2 ) is an attractive material for a variety of applications due to its metal-to-insulator transition (MIT) observed at modest temperatures. This transition takes VO 2 from its low temperature insulating monoclinic phase to a high temperature (above 68°C) metallic rutile phase. This transition gives rise to a change in resistivity up to 5 orders of magnitude and a change in complex refractive index (especially at IR wavelengths), which is of interest for radar circuit protection and tunable control of infrared signature. Recently, collaborations have been initiated between CINT scientists and external university programs. The Enhanced Surveillance funds help fund this work which enabled synthesis of VO 2 films for several collaborations with internal and external researchers.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Sandia QIS Capabilities.

Sandia National Laboratories has developed a broad set of capabilities in quantum information science (QIS), including elements of quantum computing, quantum communications, and quantum sensing. The Sandia QIS program is built atop unique DOE investments at the laboratories, including the MESA microelectronics fabrication facility, the Center for Integrated Nanotechnologies (CINT) facilities (joint with LANL), the Ion Beam Laboratory, and ASC High Performance Computing (HPC) facilities. Sandia has invested $75 M of LDRD funding over 12 years to develop unique, differentiating capabilities that leverage these DOE infrastructure investments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Graphene Synthesis

This report describes the activities I carried out during my internship at the Center for Integrated Nanotechnologies (CINT) of the Los Alamos National Laboratory (LANL).

36 MATERIALS SCIENCE↗
DOE OSTI2020

Benchmark problems for the Me soscale M ultiphysics Ph ase F i eld S imulator (MEMPHIS)

This report details the current benchmark results to verify, validate and demonstrate the capabilities of the in-house multi-physics phase-field modeling framework Me soscale M ultiphysics Ph ase F i eld S imulator (MEMPHIS) developed at the Center for Integrated Nanotechnologies (CINT). MEMPHIS is a general phase-field capability to model various nanoscience and materials science phenomena related to microstructure evolution. MEMPHIS has been benchmarked against a suite of reported 'classical' phase-field benchmark problems to verify and validate the correctness, accuracy and precision of the models and numerical methods currently implemented into the code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Benchmark problems for the Mesoscale Multiphysics Phase Field Simulator (MEMPHIS)

This report details the current benchmark results to verify, validate and demonstrate the capabilities of the in-house multi-physics phase-field modeling framework Mesoscale Multiphysics Phase Field Simulator (MEMPHIS) developed at the Center for Integrated Nanotechnologies (CINT). MEMPHIS is a general phase-field capability to model various nanoscience and materials science phenomena related to microstructure evolution. MEMPHIS has been benchmarked against a suite of reported classical phase-field benchmark problems to verify and validate the correctness, accuracy and precision of the models and numerical methods currently implemented into the code.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Deformation and Fracture in Complex-Shaped Energetic Particles

A new technical basis on the mechanics of energetic materials at the individual particle scale has been developed. Despite these particles being in most of our Sandia non-nuclear explosive components, we have historically lacked any understanding of particle behavior. Through the novel application of nanoidentation methods to single crystal films and single particles of energetic materials with complex shapes, discovery data has been collected elucidating phenomena of particle strength, elastic and plastic deformation, and fracture. This work specifically developed the experimental techniques and analysis methodologies to distill data into relationships suitable for future integration into particle level simulations of particle reassembly. This project utilized experimental facilities at CINT and the Explosive Components Facility to perform ex-situ and in-situ nanoidentation experiments with simultaneous scanning electron microscope (SEM) imaging. Data collected by an applied axial compressive load in either force-control or displacement-control was well represented by Hertzian contact theory for linear elastic materials. Particle fracture phenomenology was effectively modeled by an empirical damage model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Artificial High-Transition Temperature Superconductors

In this work, we have used the well-understood quantum Hall (QH) stripes in high quality two-dimensional electron gases to mimic charge stripes in high transition temperature (Tc) superconductors. The science question we want to address is “Can QH stripes mimic high Tc superconductor stripes and provide a controlled experimental setup to pin-down the role of stripes in high Tc superconductivity?”. We have observed anomalous superconducting transition like behavior in GaAs double quantum well systems (DQWs) when each quantum well (QW) is tuned to the charge stripe states but with different Landau level fillings. Furthermore, we have shown that the transition like behavior is sharper in the DQWs when the two QWs are more strongly coupled. Our results suggest, for the first time, experimental evidence of the paired charge stripes model, which might lead to room-temperature superconductors that have enormously wide applications in computing, energy, and transportation industries. Advancing the science of high transition temperature superconductivity will have a profound impact in advancing energy technologies, ranging from the next generation microchips, new energy transfer grid to public transportation, and thus is important to nation’s energy security and relevant across the landscape of many mission spaces. Sandia has been a leader in materials science research and development. The proposed research takes advantage of Sandia’s state-ofthe-art MBE facilities at the Center for Integrated Nanotechnologies (CINT) and utilizes Sandia’s extensive advanced materials characterization resources. We envision a significant impact on the nation’s energy research and security challenges by investing in this research.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Evaluation of Synthetic Diamond Detectors for Fast Neutron and X-ray Detection [Slides]

Element6 has come out of a two year production pause (pre-COVID) with material that lacks their previous QC – some is excellent, but screening is needed. Applied Diamond can now make usable polycrystalline material, for applications not requiring absolute flux calibration. A large area possible (1cm 2 ). Great Lakes Crystal Technology has made great progress in two years, but still needs development to become a trusted supplier of single crystal material. LANL staff (Dongsung Kim) has developed proficient lithography and bonding expertise at CINT to make devices from vendor supplied material. LANL staff has continued and expanded capabilities for device testing at NSLS-II.

42 ENGINEERING↗
DOE OSTI2022

Anti-Icing Coatings using Ionomer Film Layer Structuring

This research effort examined the application of Nafion polymers in alcohol solvents as an anti-ice surface coating, as a mixture with hydrophilic polymers and freezing point depressant salt systems. Co-soluble systems of Nafion, polymer and salt were applied using dip coating methods to create smooth films for frost observation over a Peltier plate thermal system in ambient laboratory conditions. Cryo-DSC was applied to examine freezing events of the Nafion-surfactant mixtures, but the sensitivity of the measurement was insufficient to determine frost behavior. Collaborations with the Fog Chamber at Sandia-Albuquerque, and in environmental SAXS measurements with CINT-LANL were requested but were not able to be performed under the research duration. Since experimental characterization of these factors is difficult to achieve directly, computational modeling was used to guide the scientific basis for property improvement. Computational modeling was performed to improve understanding of the dynamic association between ionomer side groups and added molecules and deicing salts. The polyacrylic acid in water system was identified at the start of the project as a relevant system for exploring the effect of varying counterions on the properties of fully deprotonated polyacrylic acid (PAA) in the presence of water. Simulations were modeled with four different counterions, two monovalent counterions (K+ and Na+) and two divalent counterions (Ca2+ and Mg2+). The wt% of PAA in these systems was varied from ~10 to 80 wt% PAA for temperatures from 250K to 400K. In the second set of simulations, the interpenetration of water into a dry PAA film was studied for Na+ or Ca2+ counterions for temperatures between 300K and 400K. The result of this project is a sprayable Nafion film composite which resists ice nucleation at -20 °C for periods of greater than three hours. It is composed of Nafion polymer, hydrophilic polyethylene oxide polymer and CaCl2 anti-ice crosslinker. Durability and field performance properties remain to be determined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

TRUST Sensors in Environments: Fiber Optic Displacement (SE-FOD) Report, Release FY24

The objective of the Delivery Environments (DE) Testbeds to Reduce Uncertainty in Simulations and Tests (TRUST) project is to quantify and help increase confidence in specific areas of computational and experimental capabilities that are applicable to the development, on-target assessment, and qualification of current and future delivery environments. More complete quantification of confidence in experimental and computational capabilities and the sufficient increase of confidence in those capabilities is critical to improving weapons engineering design, qualification, and assessment efforts that are critical to the current and future stockpile. This work uses and provides feedback on analysis tools and experimental results databases for efficient and responsive engineering which are currently under development. Under the TRUST work package, there are five testbeds and their associated engineering analysis baseline models (EABMs): 1. Contact Thermal Conductivity (CTC), 2. Nonlinear Dynamics (ND), 3. Sensors in Environments: Accelerometers (SE-A), 4. Sensors in Environments: Fiber Optic Displacement Gauges (SE-FOD), and 5. Sensors in Environments: Thermocouples (SE-TC). The TRUST project uses single-feature testbeds to quantify uncertainties in specific models and experiments and to identify capability development needs that can help to reduce these uncertainties. Each testbed is designed, configured, and tested in collaboration with groups with design and experimental capability: E-14 and MPA-CINT. The complementary simulations are conducted using W-13 analysis tools and stored in model repositories with plans for incremental progress toward EABM requirements. W-13 extends and exercises the testbed simulations in collaboration with experimentalists for uncertainty quantification of current and future materials, geometries, and environments. Additionally, TRUST is intended to provide engineers in W-13 and E-14 with experience in both numerical simulations and experimental methods through cross-discipline collaborations. Following the introduction to the TRUST project, the remainder of this report focuses on experimental, modeling and simulation, and analysis efforts conducted in FY24 relevant to the TRUST Sensors in Environments: Fiber Optic Displacement (SE-FOD) testbed.

42 ENGINEERING↗
DOE OSTI2024

TRUST Contact Thermal Conductance (TRUST-CTC) Report: FY24

The objective of the Delivery Environments (DE) Testbeds to Reduce Uncertainties in Simulations and Tests (TRUST) project is to quantify and help increase confidence in specific areas of computational and experimental capabilities that are applicable to current and future delivery environments. More complete quantification of confidence in experimental and computational capabilities and the sufficient increase of confidence in those capabilities is critical to improving weapons engineering design, qualification, and assessment efforts that are critical to the current and future stockpile. Staff development will include cross-discipline collaboration to provide engineers with experience in both numerical simulations and experimental methods. This work uses and provides feedback on analysis tools and experimental results databases for efficient and responsive engineering which are currently under development. TRUST currently includes five testbeds and their associated engineering analysis baseline models (EABMs): 1. contact thermal conductivity, (CTC) 2. nonlinear dynamics, (ND) 3. sensors in environments for accelerometers, (SEA) 4. sensors in environments for fiber optic displacement gages, and (SEFOD) 5. sensors in environments for thermocouples (SETC). The TRUST project uses single-feature testbeds to quantify uncertainties in specific models and experiments and to identify capability development needs that can help to reduce these uncertainties. Each testbed is designed, configured, and tested in collaboration with groups with design and experimental capability: E-14 and MPA-CINT. The complementary simulations are conducted using W-13 analysis tools and stored in model repositories with plans for incremental progress toward EABM requirements. W-13 extends and exercises the testbed simulations in collaboration with experimentalists for uncertainty quantification of current and future materials, geometries, and environments. Additionally, TRUST is intended to provide engineers in W-13 and E-14 with experience in both numerical simulations and experimental methods through cross-discipline collaborations. Following the introduction to the TRUST project, the remainder of this report focuses on experimental and analytical efforts conducted in Fiscal Year (FY) 2024 relevant to the TRUST Contact Thermal Conductance (CTC) testbed.

42 ENGINEERING↗
DOE OSTI2024

Spin-Controllable Dynamics in Defect-Engineered Carbon Nanotubes as Single Photon Emitters: Data-Driven Modeling and Computations

Quantum technologies, such as quantum computing and sensing, require efficient single-photon emission (SPE) sources that operate at room temperature in telecom wavelengths. While several materials can serve as SPE sources, no single platform meets all the criteria for efficiency, ambient operation, and scalability. Single-walled carbon nanotubes (SWCNTs) with covalently attached molecules offer a promising solution. Their SPE can be easily tuned via modifications of the SWCNT's diameter, chirality, and bonded molecules, enabling emission across near-IR to telecom wavelengths at ambient conditions. However, to fully realize the potential of SWCNTs and unlock their quantum capabilities, a deeper understanding of how structural defects from molecular adducts affect their emission and competing photoexcited processes is essential. To address this gap in our knowledge, this project combined quantum chemistry calculations with data-driven methods of cheminformatics (QSAR) and machine learning (ML). The developed computational approaches have provided several design strategies for covalent functionalization of SWCNTs to improve their optical response. The collaboration with Los Alamos National Lab (LANL) enabled direct comparison of computational and experimental data, facilitating method validation. This partnership was enhanced through access to LANL's Center for Integrated Nanotechnologies (CINT) utilizing User Facility Program and summer internships, which provided three NDSU graduate students with hands-on experience at LANL. The outcomes of this project included (1) Advancing the current stage of computational methods in accurate modeling of non-adiabatic spin-dependent photoexcited dynamics and its applicability to nanosystems consisting of thousands of atoms, realized as open-access codes linked to existing DFT-based software; (2) Establishing the relationship between the structure of adducts and SWCNTs and intrinsic excitonic and spin properties of defect states for guiding novel synthetic strategies and experimental probes of chemically functionalized SWCNTs as near-IR emitting materials; (3) Generating virtual libraries of hypothetical functionalized SWCNTs for virtual screening of their chemical structures and optical properties, leveraging new functionalities of SWCNTs; (4) Offering a unique experience for NDSU graduate students that prepared them for future scientific careers related to materials modeling and big data processing. These results were summarized in 12 published journal papers and 3 recently submitted papers. One of a key finding is that the position of defect sites on the SWCNT surface primarily drives the emission redshift (up to 100 meV), while the polarity of the defect-inducing molecules has a much smaller effect (~10 meV). However, the electron-donating or withdrawing properties of a molecule influence selecting reactivity of defect sites. These insights important for optimizing synthetic protocols for desired emissions in SWCNTs. We also revealed that the interaction between two defects at various positions on the SWCNT enhances the redshift and optical activity of states, favoring strong near-IR emission. This suggests that manipulations in defect concentrations is a promising strategy for controlling efficient emission. Mostly important, the defect position was found controllable by the spin states of photoexcited intermediates: Excited aromatic molecules form ortho defects with SWCNTs at their singlet states in the presence of oxygen, while oxygen-free conditions favor para defects via the triplet-state mechanism. Additionally, a heat-activated [2+2] cycloaddition reaction facilitates divalent defect formation with fewer bonding positions that narrows emission bands. These groundbreaking findings have been experimentally validated and significantly advance our understanding of defect chemistry in SWCNTs. Using a novel encoding technique and 3D-MoRSE descriptors, we developed highly accurate ML/QSAR models to predict both the 3D structure and optical properties of SWCNTs with chemical defects. This model enabled the creation of a virtual library of 125,556 structures, providing new insights into the relationship between SWCNT-defect structure and emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗