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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Role of Inelastic Electron–Phonon Scattering in Electron Transport through Ultra-Scaled Amorphous Phase Change Material Nanostructures

The electron transport through ultra-scaled amorphous phase change material (PCM) GeTe is investigated by using ab initio molecular dynamics, density functional theory, and non-equilibrium Green’s function, and the inelastic electron–phonon scattering is accounted for by using the Born approximation. It is shown that, in ultra-scaled PCM device with 6 nm channel length, < 4 % of the energy carried by the incident electrons from the source is transferred to the atomic lattice before reaching the drain, indicating that the electron transport is largely elastic. Our simulation results show that the inelastic electron–phonon scattering, which plays an important role to excite trapped electrons in bulk PCM devices, exerts very limited influence on the current density value and the shape of current–voltage curve of ultra-scaled PCM devices. The analysis reveals that the Poole–Frenkel law and the Ohm’s law, which are the governing physical mechanisms of the bulk PCM devices, cease to be valid in the ultra-scaled PCM devices.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2018

Influence of Nitrogen on Hydrogenated Amorphous Carbon Thin Films Deposited by Plasma Focus Device

To carry out our research, a plasma focus device is used to deposit thin films of nitrogen doped hydrogenated amorphous carbon (a-C:H:N) onto the stainless steel-AISI-304 substrates at room temperature. Thin films are deposited with the same numbers of focus shots, at the same distance from the anode tip and with different partial pressures of nitrogen in the mixtures of acetylene/nitrogen as working gas. The nitrogen contents of deposited films are studied using nuclear reaction analysis (NRA) techniques. The results prove that nitrogen contents of the samples do not increase significantly by increasing partial pressure of nitrogen of the working gas for both sets of the samples. Moreover, NRA results exhibit the limitation of nitrogen incorporated into the samples, when this experimental setup is used. G-peak position and peak intensity ratio of the D-band to G-band (I{sub D}/I{sub G}) are used to investigate the diamond characters. Also, they show that sp{sup 2} clustering is highly dependent on the nitrogen atomic contents and angular position of the samples. Scanning electron microscopy (SEM) shows the granular surface morphology of the films. Furthermore, it shows that angular position of the samples with respect to the anode axis plays an important role in the grain size of the surface of the samples. The thickness of the films decreases significantly by increasing angular position of the samples, while it decreases slightly by increasing partial pressure of nitrogen of the working gas. The Vickers surface hardness of the thin films exhibits significant dependency on the sp{sup 2} clustering.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Transport Measurements of Surface Electrons in 200-nm-Deep Helium-Filled Microchannels Above Amorphous Metallic Electrodes

We report transport measurements of electrons on helium in a microchannel device where the channels are 200 nm deep and 3μm wide. The channels are fabricated above amorphous metallic Ta 40 W 40 Si 20 , which has surface roughness below 1 nm and minimal variations in work function across the surface due to the absence of polycrystalline grains. We are able to set the electron density in the channels using a ground plane. We estimate a mobility of 300cm 2 /Vs and electron densities as high as 2.56×10 9 cm -2 . We demonstrate control of the transport using a barrier which enables pinch-off at a central microchannel connecting two reservoirs. The conductance through the central microchannel is measured to be 10 nS for an electron density of 1.58×10 9 cm -2 . Lastly, our work extends transport measurements of surface electrons to thin helium films in microchannel devices above metallic substrates.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

High Field Magnetization Investigation and Mean Field Theory in Amorphous Co{sub 75}Er{sub 17}B{sub 8} Ribbons

Amorphous Co{sub 75}Er{sub 17}B{sub 8} ribbons were prepared by the melt spinning technique, and their magnetic properties were studied. Mean field theory was used to describe the temperature dependence of magnetization. High-field magnetization studies performed in magnetic fields up to 15 T have revealed a magnetic behavior typical of a non-collinear magnetic structure of Er and Co sublattices. The simulated magnetization curves show the existence of two critical fields at H{sub cri1} = 9.5 T and H{sub cri2} = 94.2 T, corresponding to collinear ferrimagnet, and collinear field-forced ferromagnetic behaviors. The high value of H{sub cri2} highlights the strong antiferromagnetic interaction between Er and Co sublattices. From the non-collinear regime, the inter-subnetwork molecular field coefficients of the ferrimagnetic alloy were accurately evaluated. In addition, it is shown that the region of canted moments can be satisfactorily described by a phase diagram in the H-T plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effects of Microwave-Assisted Annealing on the Structure and Magnetic Properties of (Nd{sub 0.75}Pr{sub 0.25}){sub 9}Fe{sub 72}Ti{sub 1}Zr{sub 3}Mn{sub x} Mo{sub 4−x}B{sub 10.5}C{sub 0.5} Amorphous Ribbons

The amorphous as-spun ribbons with nominal composition (Nd{sub 0.75}Pr{sub 0.25}){sub 9}Fe{sub 72}Ti{sub 1}Zr{sub 3}Mn{sub x}Mo{sub 4−x}B{sub 10.5}C{sub 0.5}(x = 1, 2, 3) were annealed by microwave-assisted annealing. The effects of the Mn-doped alloys on glass-forming ability (GFA), crystallization, and magnetic properties of the Nd{sub 2}Fe{sub 14}B/α-Fe nanocomposite magnets were examined by thermal differential scanning calorimetry (DSC), X-ray diffraction (XRD), and vibrating sample magnetometry (VSM). An appropriate amount of Mn was beneficial to the optimization of the structure and magnetic properties. Compared with conventional annealing, the microwave-assisted annealing has contributed to the precipitation of hard magnetic phases and adjusted the proportion of hard and soft magnetic phases. The optimum magnetic properties with coercivity up to 805 kA/m were found for ribbons (with composition x = 1) annealed under the microwave power of 2000 W for 10 min.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Magnetic, Magnetocaloric Properties, and Phenomenological Model in Amorphous Ni{sub 80−x}Fe{sub x}(SiB){sub 20} Alloys with (x = 0, 2.4, 8, and 16)

Amorphous Ni{sub 80−x}Fe{sub x}(SiB){sub 20} ribbons with different Fe concentrations (0 ≤ x ≤ 16) were fabricated by melt spinning technique, and their magnetic and magnetocaloric properties were investigated and a phenomenological model was also applied. The Curie temperature (T{sub C}), magnetic moment of transition metal and maximum magnetic entropy change (− ΔS{sub M}) increase with increasing Fe content. At a magnetic field change of 2 T, the (− ΔS{sub M}) and relative cooling power (RCP) show the highest values of 0.53 J/kg K and 85 J kg{sup −1} respectively for Fe{sub 16}Ni{sub 64}(SiB){sub 20} alloys. In addition, a satisfactory agreement between the experimental and Hamad’s phenomenological model is reported.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Synthesis and characterization of amorphous SiO 2 nanowires directly grown on Cu substrates

In this work, a novel procedure for the growth of Silica nanowires directly from Cu substrates is reported. The singlestep synthesis procedure consists of a thermal treatment at 900 °C in Ar-H 2 atmosphere, without the need for additional catalysts. Nanowires grow from Cu protrusions generated on the surface during annealing via Vapor–Liquid–Solid method, giving rise to a branched structure. These SiO 2 nanostructures present an amorphous structure as evidenced by transmission electron microscopy. Silica nanowires grown on Cu and Si substrates have been characterized by XPS. Additionally, room-temperature photoluminescence measurements show a blue-green emission peak at ca. 509 nm (2.44 eV) attributed to oxygen deficiencies in the structure. The success of this procedure allows for future possible incorporation of these nanowires in optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Amino Acids as Additives against Amorphous Aggregation: In Vitro and In Silico Study on Human Lysozyme

The effect of 16 amino acids (AA) with various physicochemical properties was investigated on human lysozyme (HL) heat-induced amorphous aggregation. UV-Visible spectrophotometry was used to monitor the kinetics of aggregation in the absence and presence of AA, and transmission electron microscopy (TEM) images were taken from the aggregates. To conduct in silico experiments, Autodock vina was used for docking of AA into protein (via YASARA interface), and FTmap information was checked for an insight onto putative binding sites. Prediction of aggregation-prone regions of lysozyme was made by AGGRESCAN and Tango. Among all tested AA, phenylalanine had the best anti-aggregation effect, followed by lysine. In addition, based on in silico tests, Trp 109 and Val 110 of lysozyme are suggested to be of importance in the aggregation process of the enzyme. In conclusion, phenylalanine, arginine, and lysine were found to affect the nucleation phase of lysozyme aggregation and could be considered as suitable stabilizing structures for this enzyme.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

A novel liquid-mediated nucleation mechanism for explosive crystallization in amorphous germanium

We report a novel mechanism for explosive crystallization in amorphous germanium (a-Ge), which operates through liquid-mediated nucleation occurring under extreme thermal gradient conditions. The crystallization kinetics of sputter-deposited films with thicknesses ranging from 30 to 150 nm were characterized using in situ movie-mode dynamic transmission electron microscopy (MM-DTEM). After localized heating from a short laser pulse, explosive liquid phase nucleation (LPN) was observed to occur during the early stage (<2 μs) of crystallization in the thicker (>50 nm) films deposited on silicon nitride substrates. The crystallization front propagated at ~12–15 m/s and produced nanocrystalline microstructure with ~50 nm grains. A mechanism involving the existence of a relatively thick (>100 nm) transient liquid layer and a high nucleation rate is proposed to explain the behavior. In conclusion, the key thermodynamic and kinetic features as well as the feasibility of the mechanism are further explored by employing parametric and systematic phase-field modeling and simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Ambient-temperature NO oxidation over amorphous CrOx-ZrO 2 mixed oxide catalysts: Significant promoting effect of ZrO 2

A series of novel CrO x -ZrO 2 mixed oxide catalysts are prepared via a sol-gel method. Within a range of Cr/Zr atomic ratios, the mixed oxides maintain high surface area, homogeneous amorphous phases. As compared to CrO x -only catalysts formed using the same method, the addition of zirconia greatly enhances the catalytic performance for ambient-temperature, low-concentration NO oxidation. X-ray Photoelectron Spectroscopy (XPS) and Electron Paramagnetic Resonance (EPR) analyses indicate an electronic effect of ZrO 2 addition to the oxidation state of Cr. That is, ZrO 2 addition induces an increase in surface concentrations of Cr 6+ . Rapid deactivation of a pre-reduced catalyst, coupled with the fact that a deactivated catalyst contains lower concentrations of surface Cr 6+ , provide rather strong evidence for a Mars-van Krevelen NO oxidation mechanism. Such a mechanism is also consistent with in situ DRIFTS observations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Distribution and histologic effects of intravenously administered amorphous nanosilica particles in the testes of mice

Highlights: Black-Right-Pointing-Pointer There is rising concern regarding the potential health risks of nanomaterials. Black-Right-Pointing-Pointer Few studies have investigated the effect of nanomaterials on the reproductive system. Black-Right-Pointing-Pointer Here, we evaluated the intra-testicular distribution of nanosilica particles. Black-Right-Pointing-Pointer We showed that nanosilica particles can penetrate the blood-testis barrier. Black-Right-Pointing-Pointer These data provide basic information on ways to create safer nanomaterials. -- Abstract: Amorphous nanosilica particles (nSP) are being utilized in an increasing number of applications such as medicine, cosmetics, and foods. The reduction of the particle size to the nanoscale not only provides benefits to diverse scientific fields but also poses potential risks. Several reports have described the in vivo and in vitro toxicity of nSP, but few studies have examined their effects on the male reproductive system. The aim of this study was to evaluate the testicular distribution and histologic effects of systemically administered nSP. Mice were injected intravenously with nSP with diameters of 70 nm (nSP70) or conventional microsilica particles with diameters of 300 nm (nSP300) on two consecutive days. The intratesticular distribution of these particles 24 h after the second injection was analyzed by transmission electron microscopy. nSP70 were detected within sertoli cells and spermatocytes, including in the nuclei of spermatocytes. No nSP300 were observed in the testis. Next, mice were injected intravenously with 0.4 or 0.8 mg nSP70 every other day for a total of four administrations. Testes were harvested 48 h and 1 week after the last injection and stained with hematoxylin-eosin for histologic analysis. Histologic findings in the testes of nSP70-treated mice did not differ from those of control mice. Taken together, our results suggest that nSP70 can penetrate the blood-testis barrier and the nuclear membranes of spermatocytes without producing apparent testicular injury.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Amorphous silica nanoparticles enhance cross-presentation in murine dendritic cells

Highlights: Black-Right-Pointing-Pointer Silica nanoparticles enhanced cross-presentation. Black-Right-Pointing-Pointer Silica nanoparticles induced endosomal release of exogenous antigens. Black-Right-Pointing-Pointer Silica nanoparticle-induced cross-presentation was mediated by scavenger receptors. Black-Right-Pointing-Pointer Surface-modification may enable the manufacture of safer silica nanoparticles. -- Abstract: Nanomaterials (NMs) exhibit unique physicochemical properties and innovative functions, and they are increasingly being used in a wide variety of fields. Ensuring the safety of NMs is now an urgent task. Recently, we reported that amorphous silica nanoparticles (nSPs), one of the most widely used NMs, enhance antigen-specific cellular immune responses and may therefore aggravate immune diseases. Thus, to ensure the design of safer nSPs, investigations into the effect of nSPs on antigen presentation in dendritic cells, which are central orchestrators of the adaptive immune response, are now needed. Here, we show that nSPs with diameters of 70 and 100 nm enhanced exogenous antigen entry into the cytosol from endosomes and induced cross-presentation, whereas submicron-sized silica particles (>100 nm) did not. Furthermore, we show that surface modification of nSPs suppressed cross-presentation. Although further studies are required to investigate whether surface-modified nSPs suppress immune-modulating effects in vivo, the current results indicate that appropriate regulation of the characteristics of nSPs, such as size and surface properties, will be critical for the design of safer nSPs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Surface modification of amorphous nanosilica particles suppresses nanosilica-induced cytotoxicity, ROS generation, and DNA damage in various mammalian cells

Highlights: Black-Right-Pointing-Pointer There is increasing concern regarding the potential health risks of nanomaterials. Black-Right-Pointing-Pointer We evaluated the effect of surface properties of nanomaterials on cellular responses. Black-Right-Pointing-Pointer We showed that the surface properties play an important in determining its safety. Black-Right-Pointing-Pointer These data provide useful information for producing safer nanomaterials. -- Abstract: Recently, nanomaterials have been utilized in various fields. In particular, amorphous nanosilica particles are increasingly being used in a range of applications, including cosmetics, food technology, and medical diagnostics. However, there is concern that the unique characteristics of nanomaterials might induce undesirable effects. The roles played by the physical characteristics of nanomaterials in cellular responses have not yet been elucidated precisely. Here, by using nanosilica particles (nSPs) with a diameter of 70 nm whose surface was either unmodified (nSP70) or modified with amine (nSP70-N) or carboxyl groups (nSP70-C), we examined the relationship between the surface properties of nSPs and cellular responses such as cytotoxicity, reactive oxygen species (ROS) generation, and DNA damage. To compare the cytotoxicity of nSP70, nSP70-N, or nSP70-C, we examined in vitro cell viability after nSP treatment. Although the susceptibility of each cell line to the nSPs was different, nSP70-C and nSP70-N showed lower cytotoxicity than nSP70 in all cell lines. Furthermore, the generation of ROS and induction of DNA damage in nSP70-C- and nSP70-N-treated cells were lower than those in nSP70-treated cells. These results suggest that the surface properties of nSP70 play an important role in determining its safety, and surface modification of nSP70 with amine or carboxyl groups may be useful for the development of safer nSPs. We hope that our results will contribute to the development of safer nanomaterials.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

A thermal study of amorphous and textured carbon and carbon nitride thin films via transient grating spectroscopy

Here in this study, we are considering a novel way of growing carbon nitride (CN) films by using High Power Impulse Magnetron Sputtering (HiPIMS). Carbon and CN thin films were grown on silicon substrate with varying nanocrystalline texturing: some samples were amorphous while others were either nanocrystalline graphite (for the carbon sample) or fullerene-like (for the CN sample), with both samples having a graphitic nanostructure vertically ordered throughout the film. Their thermal diffusivity was computed using transient grating spectroscopy in order to compare the impact of the material's nanostructure on its thermal property as well as benchmarking the performance of CN. It was found that the thermal properties of carbon thin films were decreased when doped with nitrogen, which is attributed to the increased atomic disorder introduced by the nitrogen cross-linking, impacting the phonon propagation. The impact of nitrogen doping on thermal properties opens new avenues in engineering materials with tailored and varying thermal properties at the microscale.

42 ENGINEERING↗
DOE OSTI2023

Mechanisms of Zn removal from water by amorphous geopolymer: Molecular-level insights from X-ray absorption spectroscopy, isotope fractionation, and surface complexation modeling

Porous geopolymers have attracted widespread attention as promising heavy metal adsorbents that can be synthesized from aluminosilicate solid wastes. However, the precise microstructural evidence for adsorbed heavy metals on geopolymers remains unclear due to the insensitivity of conventional characterization techniques on minerals with amorphous structure and surface disorder. Batch adsorption and column experiments coupled with X-ray absorption spectroscopy (XAS), Zn stable isotope, and surface complexation model (SCM) were employed to reveal the Zn removal mechanisms with coal fly ash porous geopolymer (CFAPG) at a molecular scale. The macroscopic kinetic and isothermal adsorption of Zn on CFAPG were well described by the pseudo-second-order model and Bi_Langmuir equation, respectively, indicating the presence of abundant heterogeneous active sites on the CFAPG surface. Further, two types of active sites on the CFAPG surface were identified by XAS coupled with Zn isotopes in batch experiments at pH <= 6.0: one is pH-dependent and associated with tetrahedral zinc coordi-nation, and the other is pH-insensitive and associated with octahedral zinc coordination; these sites were confirmed by the bidentate SCM as the variable charge site (surface complexation, >S-OH) and the permanent negative charge site (cation exchange, >X - ), respectively. Furthermore, the important contribution of surface co -precipitation besides surface complexation and cation exchange to the Zn adsorption on CFAPG was identified by XAS coupled with SCM in a flow-through column experiment at pH >6.0. These investigations provide a systemic understanding of the Zn adsorption mechanisms on CFAPG and an SCM reference for the application and prediction of geopolymers in heavy metal-contaminated water remediations.

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

Amorphous-crystalline transition-driven synthesis of Co single-atom catalysts on MoO 3 for enhanced hydrogen evolution in acidic and alkaline media

Single atom catalysts (SACs) dispersed in metal oxide supports offer not only maximized catalyst utilization but also extended modulation capabilities through interactions between the SA and its support. However, achieving facile preparation and ensuring electrochemical durability of such SACs, particularly for hydrogen evolution reaction (HER) applications, remain formidable challenges. Here, our study addresses these issues by employing an amorphous-to-crystalline phase transition in MoO 3 to synthesize a cobalt (Co) SA catalyst. This method facilitates the production of highly selective SA catalysts at low temperatures and ensures their enhanced stability in HER applications. The Co SA MoO 3 catalyst exhibits superior performance in HER, operating effectively in both acidic and alkaline environments. Significantly, it maintains stable HER activity across these diverse electrolytic conditions. Our Density Functional Theory (DFT) calculations provide insights into the exceptional HER performance of Co SA MoO 3 . These calculations reveal that the strong affinity for hydrogen and water, facilitated by the modulation of the p-band orbitals at specific oxygen sites adjacent to the Co SA, establishes a thermoneutral pathway for HER. This study represents a pivotal advancement, showcasing a highly practical and robust single-atom catalyst, marking a significant stride towards sustainable energy solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Influence of amorphous silica on the hydration in ultra-high performance concrete

Amorphous silica particles (silica) are used in ultra-high performance concretes to densify the microstructure and accelerate the clinker hydration. It is still unclear whether silica predominantly increases the surface for the nucleation of C–S–H phases or dissolves and reacts pozzolanically. Furthermore, varying types of silica may have different and time dependent effects on the clinker hydration. The effects of different silica types were compared in this study by calorimetric analysis, scanning and transmission electron microscopy, in situ X-ray diffraction and compressive strength measurements. The silica component was silica fume, pyrogenic silica or silica synthesized by a wet-chemical route (Stoeber particles). Water-to-cement ratios were 0.23. Differences are observed between the silica for short reaction times (up to 3 days). Results indicate that silica fume and pyrogenic silica accelerate alite hydration by increasing the surface for nucleation of C–S–H phases whereas Stoeber particles show no accelerating effect.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Amorphous silica in ultra-high performance concrete: First hour of hydration

Amorphous silica in the sub-micrometer size range is widely used to accelerate cement hydration. Investigations including properties of silica which differ from the specific surface area are rare. In this study, the reactivity of varying types of silica was evaluated based on their specific surface area, surface silanol group density, content of silanol groups and solubility in an alkaline suspension. Pyrogenic silica, silica fume and silica synthesized by hydrolysis and condensation of alkoxy silanes, so-called Stoeber particles, were employed. Influences of the silica within the first hour were further examined in pastes with water/cement ratios of 0.23 using in-situ X-ray diffraction, cryo scanning electron microscopy and pore solution analysis. It was shown that Stoeber particles change the composition of the pore solution. Na{sup +}, K{sup +}, Ca{sup 2+} and silicate ions seem to react to oligomers. The extent of this reaction might be highest for Stoeber particles due to their high reactivity.

36 MATERIALS SCIENCE↗