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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Surface temperature: A key parameter to control the propanethiol plasma polymer chemistry

In this work, the influence of the substrate temperature (T{sub s}) on the chemical composition of propanethiol plasma polymers was investigated for a given set of plasma conditions. In a first study, a decrease in the atomic sulfur content (at. %S) with the deposition time (t{sub d}) was observed. This behavior is explained by the heating of the growing film during deposition process, limiting the incorporation of stable sulfur-based molecules produced in the plasma. Experiments carried out by controlling the substrate temperature support this hypothesis. On the other hand, an empirical law relating the T{sub s} and the at. %S was established. This allows for the formation of gradient layer presenting a heterogeneous chemical composition along the thickness, as determined by depth profile analysis combining X-ray photoelectron spectroscopy and C{sub 60} ion gun sputtering. The experimental data fit with the one predicted from our empiric description. The whole set of our results provide new insights in the relationship between the substrate temperature and the sulfur content in sulfur-based plasma polymers, essential for future developments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Study on Surface Texture and Wettability of Femtosecond Laser Treated Aluminum Alloys

This research aims to study the effects of femtosecond laser treatment on surface texture and wettability properties. The first portion of this research studies 2024-T3 aluminum alloy concerning surface texture (e.g., roughness), wettability, and surface free energy. SEM images help aid the researchers in detecting minuscule changes in surface texture. Profilometry extracts topographical data from the surface. A contact angle goniometer measures contact angle, which follows the sessile drop method. Owens, Wendt, Rabel, and Kaelble's method calculates the surface free energy in conjunction with the contact angle. Femtosecond laser modification produces relatively uniform surface morphology at the macroscale. When looking at the microscale, surface morphology differs depending on the interplay between material melting and self-assembly, where the surface becomes rougher after laser treatment. Contact angle results show that all but the control sample and sample 7 exhibit hydrophobic behavior, i.e., contact angle >90°, with Sample 1 having the most significant angle of 115°. The effects of laser parameters on surface energy is apparent. More work is needed to establish correlations among these three quantities: contact angle, surface energy, and laser parameters. The second portion of this research studies aluminum alloy 6061 as the subject material with the primary goal of creating a superhydrophobic surface. A central composite design creates the laser surface texturing design of experiments. SEM images help aid the researchers in detecting minuscule changes in surface texture. A 3D optical profiler extracts topographical data from the surface. The sessile drop method incorporates a contact angle goniometer to measure the contact angle. The response surface method builds a second-order polynomial model for the contact angle and obtains optimized parameters to maximize the contact angle. This research shows that laser surface texturing can generate a wide range of surface profiles and roughness values with geometric features ranging from hundreds of μm to submicron. All three laser parameters (pulse energy, pulse duration, repetition rate) affect surface roughness and contact angle to some degree. To quantify the relationship between the contact angle, pulse energy, and pulse repetition rate, a response surface model for Al 6061 is identified and used to find the optimal conditions of E=214 μJ, tp=10 ps, and fp=2427 Hz with a predicted maximum contact angle of 161°. A confirmation experiment produces a contact angle of 168°, in good agreement with the predicted value.

Angell, Dakota↗
DOE OSTI2014

Surface pretreatment of plastics with an atmospheric pressure plasma jet - Influence of generator power and kinematics

The industrial use of atmospheric pressure plasmas in the plastics processing industry has increased significantly in recent years. Users of this treatment process have the possibility to influence the target values (e.g. bond strength or surface energy) with the help of kinematic and electrical parameters. Until now, systematic procedures have been used with which the parameters can be adapted to the process or product requirements but only by very time-consuming methods. For this reason, the relationship between influencing values and target values will be examined based on the example of a pretreatment in the bonding process with the help of statistical experimental design. Because of the large number of parameters involved, the analysis is restricted to the kinematic and electrical parameters. In the experimental tests, the following factors are taken as parameters: gap between nozzle and substrate, treatment velocity (kinematic data), voltage and duty cycle (electrical data). The statistical evaluation shows significant relationships between the parameters and surface energy in the case of polypropylene. An increase in the voltage and duty cycle increases the polar proportion of the surface energy, while a larger gap and higher velocity leads to lower energy levels. The bond strength of the overlapping bond is also significantly influenced by the voltage, velocity and gap. The direction of their effects is identical with those of the surface energy. In addition to the kinematic influences of the motion of an atmospheric pressure plasma jet, it is therefore especially important that the parameters for the plasma production are taken into account when designing the pretreatment processes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Ultrafast probes at the interfaces of solar energy conversion materials

Ultrafast carrier dynamics at interfaces plays a major role in governing solar energy conversion efficiency in solar conversion systems, especially in solar cells and photoelectrochemical devices. Here, we discuss recent advances in ultrafast spectroscopic probes to understand the dynamics at such interfaces. Transient reflectance (TR) enables monitoring of the surface carriers that are within ~10 nm of the surface or interface of interest. Crucial parameters such as surface recombination velocity and carrier diffusion can be determined. When a strong surface or interfacial field is present the reflectance spectrum will exhibit Franz–Kelydesh oscillations. Monitoring the transient formation or decay of such oscillations informs about the interfacial field and is referred to as transient photoreflectance (TPR). Such fields are helpful in designing systems in order to move carriers away from surfaces where photocorrosion can occur and towards catalytic surfaces. Finally, we discuss transient infrared attenuated total reflection (TATR) to probe the ultrafast reaction intermediates in a photo-driven chemical reaction.

14 SOLAR ENERGY↗
DOE OSTI2020

Carrier recombination parameters in diamond after surface boron implantation and annealing

In this study, an optical pump–probe technique was used to detect spatial distribution of carrier lifetimes across the thickness of a high-quality diamond device structure. Two samples with as-received and boron implanted surfaces were compared to assess the role of implantation and related processing on carrier recombination mechanisms. It was found that the two implanted surfaces show very different behaviors despite undergoing the same treatment. At one of the surfaces, carrier lifetimes remained relatively unchanged, indicating surface recombination rates in the 102–103 cm/s range. At the other surface, carrier lifetimes were almost a magnitude lower and correlated with the locally detected nitrogen vacancy defect that was attributed to the elevated concentration of residual nitrogen.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations

Thermal fluctuations cause perturbations of fluid-fluid interfaces and highly nonlinear hydrodynamics in multiphase flows. In this work, we develop a novel multiphase smoothed dissipative particle dynamics model. This model accounts for both bulk hydrodynamics and interfacial fluctuations. Interfacial surface tension is modeled by imposing a pairwise force between SDPD particles. We show that the relationship between the model parameters and surface tension, previously derived under the assumption of zero thermal fluctuation, is accurate for fluid systems at low temperature but overestimates the surface tension for intermediate and large thermal fluctuations. To analyze the effect of thermal fluctuations on surface tension, we construct a coarse-grained Euler lattice model based on the mean field theory and derive a semi-analytical formula to directly relate the surface tension to model parameters for a wide range of temperatures and model resolutions. We demonstrate that the present method correctly models the dynamic processes, such as bubble coalescence and capillary spectra across the interface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The parametric sensitivity of CAM5's MJO

Abstract We systematically explore the ability of the Community Atmospheric Model version 5 (CAM5) to simulate the Madden‐Julian Oscillation (MJO), through an analysis of MJO metrics calculated from a 1100‐member perturbed parameter ensemble of 5 year simulations with observed sea surface temperatures. Parameters from the deep convection scheme make the greatest contribution to the variance in MJO simulation quality with a much smaller contribution from parameters in the large‐scale cloud, shallow convection, and boundary layer turbulence schemes. Improved MJO variability results from a larger lateral entrainment rate and a reduction in the precipitation efficiency of deep convection that was achieved by a smaller autoconversion of cloud to rainwater and a larger evaporation of convective precipitation. Unfortunately, simulations with an improved MJO also have a significant negative impact on the climatological values of low‐level cloud and absorbed shortwave radiation, suggesting that structural in addition to parametric modifications to CAM5's parameterization suite are needed in order to simultaneously well simulate the MJO and mean‐state climate.

Boyle, J. S.↗
DOE OSTI2015

SU-E-P-05: Electronic Brachytherapy: A Physics Perspective On Field Implementation

Purpose: We want to summarize our experience implementing a successful program of electronic brachytherapy at several dermatology clinics with the help of a cloud based software to help us define the key program parameters and capture physics QA aspects. Optimally developed software helps the physicist in peer review and qualify the physical parameters. Methods: Using the XOFT™ Axxent™ electronic brachytherapy system in conjunction with a cloud-based software, a process was setup to capture and record treatments. It was implemented initially at about 10 sites in California. For dosimetric purposes, the software facilitated storage of the physics parameters of surface applicators used in treatment and other source calibration parameters. In addition, the patient prescription, pathology and other setup considerations were input by radiation oncologist and the therapist. This facilitated physics planning of the treatment parameters and also independent check of the dwell time. From 2013–2014, nearly1500 such calculation were completed by a group of physicists. A total of 800 patients with multiple lesions have been treated successfully during this period. The treatment log files have been uploaded and documented in the software which facilitated physics peer review of treatments per the standards in place by AAPM and ACR. Results: The program model was implemented successfully at multiple sites. The cloud based software allowed for proper peer review and compliance of the program at 10 clinical sites. Dosimtery was done on 800 patients and executed in a timely fashion to suit the clinical needs. Accumulated physics data in the software from the clinics allows for robust analysis and future development. Conclusion: Electronic brachytherapy implementation experience from a quality assurance perspective was greatly enhanced by using a cloud based software. The comprehensive database will pave the way for future developments to yield superior physics outcomes.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

Subwavelength acoustic focusing by surface-wave-resonance enhanced transmission in doubly negative acoustic metamaterials

We present analytical and numerical analyses of a yet unseen lensing paradigm that is based on a solid metamaterial slab in which the wave excitation source is attached. We propose and demonstrate sub-diffraction-limited acoustic focusing induced by surface resonant states in doubly negative metamaterials. The enhancement of evanescent waves across the metamaterial slab produced by their resonant coupling to surface waves is evidenced and quantitatively determined. The effect of metamaterial parameters on surface states, transmission, and wavenumber bandwidth is clearly identified. Based on this concept consisting of a wave source attached on the metamaterial, a high resolution of λ/28.4 is obtained with the optimum effective physical parameters, opening then an exciting way to design acoustic metamaterials for ultrasonic focused imaging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Continuity conditions for tensor product Q-Bézier surfaces of degree (m, n)

Based on a kind of Q-Bézier surfaces with shape parameters, the basic properties of the surfaces and the geometric significance of the shape parameters are analyzed. To resolve the problem of shape control and adjustment of composite surfaces, the continuity conditions for Q-Bézier surfaces of degree (m, n) are investigated. Taking advantage of the terminal properties of generalized Bernstein basis functions, we derive the conditions of G{sup 1} and G{sup 2} continuity between two adjacent Q-Bézier surfaces. In addition, the specific steps of smooth continuity between Q-Bézier surfaces and the shape adjustment function of shape parameters for composite surfaces are discussed. The modeling examples show that the proposed smooth continuity conditions are not only intuitive and easy to implement, but also greatly enhance the shape adjustability, which provide a useful method for constructing complex surfaces in engineering design.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Inverse Modeling of Hydrologic Parameters in CLM4 via Generalized Polynomial Chaos in the Bayesian Framework

In this work, generalized polynomial chaos (gPC) expansion for land surface model parameter estimation is evaluated. We perform inverse modeling and compute the posterior distribution of the critical hydrological parameters that are subject to great uncertainty in the Community Land Model (CLM) for a given value of the output LH. The unknown parameters include those that have been identified as the most influential factors on the simulations of surface and subsurface runoff, latent and sensible heat fluxes, and soil moisture in CLM4.0. We set up the inversion problem in the Bayesian framework in two steps: (i) building a surrogate model expressing the input–output mapping, and (ii) performing inverse modeling and computing the posterior distributions of the input parameters using observation data for a given value of the output LH. The development of the surrogate model is carried out with a Bayesian procedure based on the variable selection methods that use gPC expansions. Our approach accounts for bases selection uncertainty and quantifies the importance of the gPC terms, and, hence, all of the input parameters, via the associated posterior probabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2026

A New Route Toward Atomically Flat and Defect-Free Ge/SiGe Planar Heterostructures

Germanium-based planar heterostructures are emerging as versatile platforms for realizing quantum devices. In particular, planar Ge/SiGe quantum wells (QWs) host hole states with exceptionally high mobility and strong, electrically tunable spin–orbit interactions, enabling full electrical control of quantum information. A key requirement for these systems is the growth of microscopic, defect-free, atomically flat Ge QW heterostructures on relaxed or reverse-graded SiGe buffer layers, as well as on commercial Ge substrates. While several physical deposition techniques have demonstrated high-quality planar Ge/SiGe QWs, a major challenge remains: minimizing defect density typically requires high growth temperatures, which are incompatible with standard CMOS process flows. Here, we present a convenient low-temperature process for realizing high-quality planar SiGe/Ge heterostructures using a combination of thermal and electron-beam evaporation. We systematically map the effects of ex-situ and in-situ substrate preparation protocols, growth temperature, and post-deposition annealing conditions, and correlate these parameters with surface roughness and defect density. We find that in-situ oxide desorption conditions and post-annealing parameters have the most pronounced impact on improving surface quality. Under optimized conditions, we achieve atomically smooth surfaces with root-mean-square roughness σrms​ ≤ 10 Å and negligible defect density. Interestingly, thermally evaporated Ge layers exhibit oriented triangular crystallites that elongate upon post-annealing in the presence of high Ge vapor pressure. These results demonstrate that this simple, low-temperature deposition approach is a viable and effective route for achieving high-quality Ge QW heterostructures, with strong potential for scalable quantum computing and sensing applications.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2022

Alternating chempolishing and electropolishing for interior and exterior surface finishing of additively manufactured (AM) metal components

Additively manufactured (AM) components’ surface finishing is crucial in adopting them for intended applications in challenging environments involving fatigue, corrosion, high temperature, and nuclear radiation. In our prior research, chempolishing (C) was utilized as an electroless etching process that uniformly smoothens complex AM components’ accessible interior and exterior surfaces (Tyagi et al. Additive Manufacturing, 25:32–38, 22). A wide range of electropolishing (E) has been demonstrated for AM surface finishing. However, electropolishing can impact a surface that can be juxtaposed to counter electrode and can yield a very smooth surface to sub-micrometer level roughness. However, a knowledge gap exists about the impact of applying both approaches on the same surface one after another and what new advantages may arise because of combining two methods. This paper uses dual-stage liquid-based surface finishing strategies produced by alternating the chempolishing (C) and electropolishing (E) steps. Two dual-stage surface finishing approaches, i.e., chempolishing followed by electropolishing (CE) and electropolishing followed by chempolishing (EC), were performed on the 316 stainless AM steel component. Impacts of EC and CE approaches were compared with single-stage C and E surface finishing approaches. An optical microscope and mechanical profilometer were utilized to investigate the wide range of surface roughness parameters. CE and EC produced Ra ~ 1.4 µm and ~ 1.6 µm, respectively. Surface roughness on CE- and EC-treated AM samples was lower than those individually treated by C and E approaches. Scanning electron microscopy provided further insights into the microstructural difference between CE- and EC-treated AM samples. This paper reports a liquid contact angle study on CE- and EC-treated AM samples to provide insights into the relative difference in surface energy that is crucial for making coatings on AM parts. A spectroscopic reflectance study was also employed to register the difference in physical properties of AM components treated with CE and EC approaches. Further, this study reveals industrially practicable interior and exterior surface finishing approaches for complex AM metal components that require minimum tooling and real-time process monitoring.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fatigue behavior and modeling for additive manufactured 304L stainless steel: The effect of surface roughness

The fatigue strength of additively manufactured metallic parts in their as-built surface condition is mainly dominated by the surface roughness. Post-processing is often inevitable to reduce surface roughness effects even though post-processing diminishes the main advantage of additive manufacturing, which is net-shaped direct-to-service production. This work investigates the underlying mechanisms responsible for fatigue failure of additively manufactured 304L stainless steel parts in as-built and machined/polished surface conditions. Both strain- and force-controlled, fully reversed fatigue tests were conducted to gain a comprehensive understanding of surface roughness effects on fatigue behavior. The sensitivity to surface roughness is shown to be dependent on the control mode, with stress-based fatigue tests showing greater sensitivity than strain-based fatigue tests. Moreover, the fatigue life estimation for as-built specimens was performed based on surface roughness parameters as well as the fatigue properties of the specimens in machined/polished surface condition of the material without using any fatigue data of specimens in as-built surface condition. Accordingly, the effect of surface roughness on the fatigue behavior could be estimated reasonably well in both strain-life and stress-life approaches.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Prospects for the pulsed electrodeposition of zinc-oxide hierarchical nanostructures

Studies into the effect of the conditions of pulsed electrodeposition upon the structural and sub-structural parameters, morphology, and optical properties of ZnO-crystallite arrays make it possible to establish those parameters optimal for the formation of ZnO nanorods oriented normally to the substrate surface. These parameters are as follows: an electrolyte temperature of 70-85 Degree-Sign C, duty cycle of 40%, and a pulse-repetition frequency of 2 Hz. The nanorod dimensions can be varied by heating or cooling the electrolyte within the above-indicated limits; as a result, small-sized nanorods can be electrically deposited on the surface of larger nanorods to form hierarchical nanostructures. By varying the duty cycle, it is possible to modify the surface morphology of the arrays up to the formation of mesoporous ZnO networks. In combination with ZnO nanorods, such networks are capable of forming hierarchical nanostructures with large specific areas.

36 MATERIALS SCIENCE↗