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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Plasma generation by household microwave oven for surface modification and other emerging applications

A simple and inexpensive method to generate plasma using a kitchen microwave oven is described in this paper. The microwave-generated plasma is characterized by spectroscopic analysis and compared with the absorption spectra of a gas discharge tube. A Paschen-like curve is observed as the microwave plasma initiation time is plotted as a function of the pressure of the plasma chamber. We have also demonstrated that this microwave-generated air plasma can be used in a multitude of applications such as: (a) surface modification of a substrate to change its wettability; (b) surface modification to change electrical/optical properties of a substrate; and (c) enhancement of adhesive forces for improved bonding of polymeric microfluidic molds, such as bonding polydimethylsiloxane (PDMS) chips to glass covers. These simple techniques of plasma generation and subsequent surface treatment and modification applications may bring new opportunities leading to new innovations not only in advanced labs, but also in undergraduate and even high school research labs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Machine Learning Accelerates Innovation in Perovskite Manufacturing Scale-up (Final Technical Report (FTR))

We propose to address the challenge of the vast parameter space associated with perovskite manufacturing optimization, by developing a machine learning (ML)-assisted optimization framework for a scalable perovskite PV manufacturing tool. This framework will be interpretable, sequential, and rapidly adaptable to upgraded systems (e.g., via transfer learning). The tool is an open-air rapid spray plasma process (RSPP) of perovskite films, which has already been established at Stanford and is a unique platform to test and deploy the proposed ML-guided framework because the RSPP technique is able to conduct optimization experiments with a high throughput, and easily adjust a wide range of process variables.

14 SOLAR ENERGY↗
DOE OSTI2022

Renewable On-Site Nitrogen Fertilizer Production (CRADA Final Report)

As part of the Cyclotron Road program, the Nitricity Inc. research team sought to investigate the electrification of nitrogen fixation and the corresponding development of fixed nitrogen products. Nitricity’s cofounders had developed a plasma process and related technologies to cost-effectively use air, water, and electricity to convert nitrogen gas into nitrogen fertilizer (and other nitrogen products). This project explored ways to make this process more efficient and robust. Synthetic nitrogen fixation is critical for growing crops and feeding most of the world’s populace. However, the incumbent method to fix nitrogen, the Haber–Bosch process, requires unsustainable fossil fuels and ultra-centralized facilities with a supply-chain network that fails to reach many developing countries. Nitricity envisions that their process when scaled, may provide sustainable fixed nitrogen in many forms to fit the needs of the end user.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Boron adatom adsorption on graphene: A case study in computational chemistry methods for surface interactions

Though weak surface interactions and adsorption can play an important role in plasma processing and materials science, they are not necessarily simple to model. A boron adatom adsorbed on a graphene sheet serves as a case study for how carefully one must select the correct technique from a toolbox of computational chemistry methods. Using a variety of molecular dynamics potentials and density functional theory functionals, we evaluate the adsorption energy, investigate barriers to adsorption and migration, calculate corresponding reaction rates, and show that a surprisingly high level of theory may be necessary to verify that the system is described correctly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Particle-in-cell Simulations of Relativistic Magnetic Reconnection with Advanced Maxwell Solver Algorithms

Abstract Relativistic magnetic reconnection is a nonideal plasma process that is a source of nonthermal particle acceleration in many high-energy astrophysical systems. Particle-in-cell (PIC) methods are commonly used for simulating reconnection from first principles. While much progress has been made in understanding the physics of reconnection, especially in 2D, the adoption of advanced algorithms and numerical techniques for efficiently modeling such systems has been limited. With the GPU-accelerated PIC code WarpX, we explore the accuracy and potential performance benefits of two advanced Maxwell solver algorithms: a nonstandard finite-difference scheme (CKC) and an ultrahigh-order pseudo-spectral method (PSATD). We find that, for the relativistic reconnection problem, CKC and PSATD qualitatively and quantitatively match the standard Yee-grid finite-difference method. CKC and PSATD both admit a time step that is 40% longer than that of Yee, resulting in a ∼40% faster time to solution for CKC, but no performance benefit for PSATD when using a current deposition scheme that satisfies Gauss’s law. Relaxing this constraint maintains accuracy and yields a 30% speedup. Unlike Yee and CKC, PSATD is numerically stable at any time step, allowing for a larger time step than with the finite-difference methods. We found that increasing the time step 2.4–3 times over the standard Yee step still yields accurate results, but it only translates to modest performance improvements over CKC, due to the current deposition scheme used with PSATD. Further optimization of this scheme will likely improve the effective performance of PSATD.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Aqueous based nanoparticle ink

Water-based nanoparticle inks may be formulated to be compatible with printed electronic direct-write methods. The water-based nanoparticle inks may include a functional material (nanoparticle) in combination with an appropriate solvent system. A method may include dispersing nanoparticles in a solvent and printing a circuit in an aerosol jet process or plasma jet process.

Fujimoto, Kiyo↗
DOE OSTI2024

Autonomous hybrid optimization of a SiO 2 plasma etching mechanism

Computational modeling of plasma etching processes at the feature scale relevant to the fabrication of nanometer semiconductor devices is critically dependent on the reaction mechanism representing the physical processes occurring between plasma produced reactant fluxes and the surface, reaction probabilities, yields, rate coefficients, and threshold energies that characterize these processes. The increasing complexity of the structures being fabricated, new materials, and novel gas mixtures increase the complexity of the reaction mechanism used in feature scale models and increase the difficulty in developing the fundamental data required for the mechanism. This challenge is further exacerbated by the fact that acquiring these fundamental data through more complex computational models or experiments is often limited by cost, technical complexity, or inadequate models. In this paper, we discuss a method to automate the selection of fundamental data in a reduced reaction mechanism for feature scale plasma etching of SiO 2 using a fluorocarbon gas mixture by matching predictions of etch profiles to experimental data using a gradient descent (GD)/Nelder–Mead (NM) method hybrid optimization scheme. These methods produce a reaction mechanism that replicates the experimental training data as well as experimental data using related but different etch processes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Low-temperature etching of silicon oxide and silicon nitride with hydrogen fluoride

Etching of high aspect ratio features into alternating SiO 2 and SiN layers is an enabling technology for the manufacturing of 3D NAND flash memories. In this paper, we study a low-temperature or cryo plasma etch process, which utilizes HF gas together with other gas additives. Compared with a low-temperature process that uses separate fluorine and hydrogen gases, the etching rate of the SiO 2 /SiN stack doubles. Both materials etch faster with this so-called second generation cryo etch process. Pure HF plasma enhances the SiN etching rate, while SiO 2 requires an additional fluorine source such as PF 3 to etch meaningfully. Further, the insertion of H 2 O plasma steps into the second generation cryo etch process boosts the SiN etching rate by a factor of 2.4, while SiO 2 etches only 1.3 times faster. We observe a rate enhancing effect of H 2 O coadsorption in thermal etching experiments of SiN with HF. Ammonium fluorosilicate (AFS) plays a salient role in etching of SiN with HF with and without plasma. AFS appears weakened in the presence of H 2 O. Density functional theory calculations confirm the reduction of the bonding energy when NH 4 F in AFS is replaced by H 2 O.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Unconventional Materials Processing Using Spark Plasma Sintering

Spark plasma sintering (SPS) has gained recognition in the last 20 years for its rapid densification of hard-to-sinter conventional and advanced materials, including metals, ceramics, polymers, and composites. Herein, we describe the unconventional usages of the SPS technique developed in the field. The potential of various new modifications in the SPS technique, from pressureless to the integration of a novel gas quenching system to extrusion, has led to SPS’ evolution into a completely new manufacturing tool. The SPS technique’s modifications have broadened its usability from merely a densification tool to the fabrication of complex-shaped components, advanced functional materials, functionally gradient materials, interconnected materials, and porous filter materials for real-life applications. The broader application achieved by modification of the SPS technique can provide an alternative to conventional powder metallurgy methods as a scalable manufacturing process. The future challenges and opportunities in this emerging research field have also been identified and presented.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Mechanical Behavior of Neutron Irradiated Refractory Multi-Principal Element Alloys Processed via Spark Plasma Sintering

The search for advanced materials capable of withstanding the extreme conditions of Generation IV reactors is a critical area in materials science research. These reactors operate under severe environments, including high temperatures, corrosion, stress, and irradiation damage. Consequently, there is a need for innovative alloy systems to ensure the reliability and longevity of proposed Generation IV reactor components. Refractory multi-principal-element alloys (RMPEA) have emerged as a promising candidate due to their exceptional properties. These alloys, characterized by their composition of multiple principal elements in near-equiatomic ratios, exhibit superior resistance to irradiation damage, reduced void swelling, enhanced microstructural stability, and minimal irradiation-induced hardening. While initial studies on RMPEAs have shown promising results, most research has been limited to thin films, nanocrystalline microstructures, and ion irradiation, which do not accurately represent the behavior of bulk materials. To address this gap, our research focused on the neutron irradiation of bulk RMPEAs. We aim to conduct comprehensive post-irradiation examinations (PIE) of RMPEAs irradiated at the Advanced Test Reactor at Idaho National Laboratory. The RMPEAs were synthesized using spark plasma sintering (SPS) with mechanically alloyed metallurgical powder. The RMPEA specimens are a MoNbTi alloy system with additions of -Zr, and -ZrV. Furthermore, PIE consisted of mechanical testing and advanced materials characterization. The mechanical testing consisted of sub-sized tensile testing, micro- and nano- indentation. Microstructural characterization included scanning electron microscopy and transmission electron microscopy. Mechanical testing coupled with advanced microscopy techniques provides insight into phase morphology and its effects on the mechanical properties of the RMPEA specimens. The results indicate that both pristine and irradiated RMPEA specimens exhibited brittle behavior during tensile testing, which can be attributed to their heterogeneous microstructure. The SPS manufacturing process did not include any post treatment, which resulted in a heterogeneous microstructure. Energy-dispersive X-ray spectroscopy revealed the presence of intermetallic such as laves phases within the microstructure. Specifically, Ti-rich precipitates were observed in the MoNbTi specimen, while Mo-rich precipitates were found in the MoNbTiZrV specimen. Nano-hardness testing of pristine samples showed that the laves phases exhibited higher hardness values compared to the matrix phase, suggesting that precipitate hardening is likely the dominant hardening mechanism in these specimens. The results from this work will be used to build a finite element model to predict mechanical behavior of future MPEA compositions. Thus, enabling for a streamlined approach to developing novel MPEAs for the nuclear industry.

36 - MATERIALS SCIENCE↗
DOE OSTI2023

A phenomenological wobbling model for isolated pulsars and the braking index

ABSTRACT An isolated pulsar is a rotating neutron star possessing a very high magnetic dipole moment, thus providing a powerful radiating mechanism. These stars loose rotational energy E through various processes, including a plasma wind originating from a highly magnetized magnetosphere and the emission of magnetic dipole radiation (MDR). Such phenomena produce a time decreasing angular velocity Ω(t) of the pulsar that is usually quantified in terms of its braking index. Although these mechanisms are widely acknowledged as the primary drivers of the spin evolution of isolated pulsars, it is plausible that other contributing factors influencing this effect have yet to be comprehensively investigated. Most of young isolated pulsars present a braking index different from that given by the MDR and plasma wind processes. Working in the weak field (Newtonian) limit, we take in this work a step forward in describing the evolution of such a system by allowing the star’s shape to wobble around an ellipsoidal configuration as a backreaction effect produced by its rotational deceleration. It is assumed that an internal damping of the oscillations occurs, thus introducing another form of energy loss in the system, and this phenomenon may be related to the deviation of the braking index from the models based on $\dot{E} \sim -\Omega ^4$ predictions. Numerical calculations suggest that the average braking index for typical isolated pulsars can be thus explained by a simple phenomenological model.

Araujo, E. C. A. (ORCID:0000000213520879)↗
DOE OSTI2024

Intrinsic Toroidal Rotation Driven by Turbulent and Neoclassical Processes in Tokamak Plasmas from Global Gyrokinetic Simulations

Gyrokinetic tokamak plasmas can exhibit intrinsic toroidal rotation driven by the residual stress. While most studies have attributed the residual stress to the parallel-momentum flux from the turbulent E × B motion, the parallel-momentum flux from the drift-orbit motion (denoted $Π^D_\parallel$) and the E × B-momentum flux from the E × B motion (denoted $Π_{E×B}$) are often neglected. Here, we use the global total-f gyrokinetic code XGC to study the residual stress in the core and the edge of a DIII-D H-mode plasma. Numerical results show that both $Π^D_\parallel$ and $Π_{E×B}$ make up a significant portion of the residual stress. In particular, $Π^D_\parallel$ in the core is higher than the collisional neoclassical level in the presence of turbulence, while in the edge it represents an outflux of countercurrent momentum even without turbulence. Using a recently developed “orbit-flux” formulation, we show that the higher-than-neoclassical-level $Π^D_\parallel$ in the core is driven by turbulence, while the outflux of countercurrent momentum from the edge is mainly due to collisional ion orbit loss. In conclusion, these results suggest that $Π^D_\parallel$ and $Π_{E×B}$ can be important for the study of intrinsic toroidal rotation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗