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At least 1,261 records · Page 70

Gold nanocatalysts supported on heterostructured PbSO4-MCF mesoporous materials for CO oxidation

Metal oxides are commonly used as the supports of gold nanoparticles for catalytic CO oxidation, whereas metal salts are rarely considered suitable supports. In the present work, we developed a new kind of gold nanocatalyst supported on heterostructured PbSO4-MCF mesoporous materials that was prepared by an in situ growth method using dodecylbenzenesulfonate (SOBS) as a sulfonate precursor. It was found that an Au/PbSO4-MCF (SDBS) catalyst preheated at 300 degrees C showed high CO conversion below 100 degrees C. In addition, the stability of selected catalysts was studied as a function of time on stream. Because of the alteration of surface properties, these Au nanocatalysts were highly sinter-resistant. Published by Elsevier B.V.

Li, Lin↗

Unimodal Imaging of Monovalent Metal-Chelator Complexes and Lipids by MALDI Imaging Mass Spectrometry

Careful regulation of monovalent metal ions (M + ) is necessary to maintain a functional cellular system. Of these ions, appropriate sodium (Na + ) and potassium (K + ) concentrations are particularly integral for electrochemical signaling, as well as the secondary transport of nutrients and waste. Dysregulation of M + homeostasis can disrupt these mechanisms, potentially influencing the metabolism of downstream biomolecules such as lipids. Thus, the relationship between M + abundances and related biomolecular distributions must be elucidated to better understand the physiology of healthy and disordered tissues. Traditional techniques for imaging biological metal distributions include SIMS, LA-ICP-MS, and XRF; however, these capabilities are limited to elemental analysis or the analysis of molecular fragments and must be paired with other modalities to visualize distributions of more complex biomolecules within the same or similar samples. Conversely, matrix-assisted laser desorption/ionization imaging mass spectrometry (MALDI IMS) is a powerful tool often used for mapping such biomolecular distributions, but current methods are unable to detect metals within tissue. This study illustrates a novel methodology that adds metal detection to the MALDI IMS repertoire through which the simultaneous detection of M + metals and lipids is achievable. Using a robotic sprayer for homogeneous application, on-tissue deposition of the chelator deferiprone (DEF) enables subsequent detection of the ionizable metal-chelator complex by MALDI without hindering lipid detection. Our work provides proof-of-concept data for the simultaneous detection of K + , Na + , and intact lipids using MALDI IMS.

59 BASIC BIOLOGICAL SCIENCES↗

Fast predictions of liquid-phase acid-catalyzed reaction rates using molecular dynamics simulations and convolutional neural networks

The rates of liquid-phase, acid-catalyzed reactions relevant to the upgrading of biomass into high-value chemicals are highly sensitive to solvent composition and identifying suitable solvent mixtures is theoretically and experimentally challenging. We show that the complex atomistic configurations of reactant–solvent environments generated by classical molecular dynamics simulations can be exploited by 3D convolutional neural networks to enable accurate predictions of Brønsted acid-catalyzed reaction rates for model biomass compounds. We develop a 3D convolutional neural network, which we call SolventNet, and train it to predict acid-catalyzed reaction rates using experimental reaction data and corresponding molecular dynamics simulation data for seven biomass-derived oxygenates in water–cosolvent mixtures. We show that SolventNet can predict reaction rates for additional reactants and solvent systems an order of magnitude faster than prior simulation methods. This combination of machine learning with molecular dynamics enables the rapid, high-throughput screening of solvent systems and identification of improved biomass conversion conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultraviolet photodissociation dynamics of the n-propyl and i-propyl radicals

Ultraviolet (UV) photodissociation dynamics of jet-cooled n-propyl (n-C{sub 3}H{sub 7}) radical via the 3s Rydberg state and i-propyl (i-C{sub 3}H{sub 7}) radical via the 3p Rydberg states are studied in the photolysis wavelength region of 230–260 nm using high-n Rydberg atom time-of-flight and resonance enhanced multiphoton ionization techniques. The H-atom photofragment yield spectra of the n-propyl and i-propyl radicals are broad and in good agreement with the UV absorption spectra. The H + propene product translational energy distributions, P(E{sub T})’s, of both n-propyl and i-propyl are bimodal, with a slow component peaking around 5-6 kcal/mol and a fast one peaking at ∼50 kcal/mol (n-propyl) and ∼45 kcal/mol (i-propyl). The fraction of the average translational energy in the total excess energy, 〈f{sub T}〉, is 0.3 for n-propyl and 0.2 for i-propyl, respectively. The H-atom product angular distributions of the slow components of n-propyl and i-propyl are isotropic, while that of the fast component of n-propyl is anisotropic (with an anisotropy parameter ∼0.8) and that of i-propyl is nearly isotropic. Site-selective loss of the β hydrogen atom is confirmed using the partially deuterated CH{sub 3}CH{sub 2}CD{sub 2} and CH{sub 3}CDCH{sub 3} radicals. The bimodal translational energy and angular distributions indicate two dissociation pathways to the H + propene products in the n-propyl and i-propyl radicals: (i) a unimolecular dissociation pathway from the hot ground-state propyl after internal conversion from the 3s and 3p Rydberg states and (ii) a direct, prompt dissociation pathway coupling the Rydberg excited states to a repulsive part of the ground-state surface, presumably via a conical intersection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ZnO/CdS bi-layer nanostructures photoelectrode for dye-sensitized solar cells

Simple chemical deposition method for the synthesis of ZnO/CdS bilayer photoelectrode on fluorine doped tin oxide (FTO) coated glass substrate in aqueous medium at low temperature (< 373K) is described. The different preparative parameters such as deposition time, bath temperature, concentration of precursor solution and, pH of the bath etc. were optimized. Nanograined ZnO was deposited on FTO coated glass substrates by dip-coating method, whereas CdS nanorods were successfully synthesized on pre-deposited ZnO film by Chemical Bath Deposition (CBD) method. The Photovoltaic properties of FTO/ZnO/CdS bilayer photo electrodes were also studied. A maximum short circuit current density of 9.1 mA cm-2 and conversion efficiency 1.05% are observed for ZnO/CdS-10min. Layer, which supports fast electron injection kinetics due to hetero structured nanorod, while minimum values of 0.53mA cm-2 and 0.01% respectively are observed for only ZnO deposited layer.

36 MATERIALS SCIENCE↗

Optimal laser wavelength for efficient laser power converter operation over temperature

A temperature dependent modeling study is conducted on a GaAs laser power converter to identify the optimal incident laser wavelength for optical power transmission. Furthermore, the respective temperature dependent maximal conversion efficiencies in the radiative limit as well as in a practically achievable limit are presented. The model is based on the transfer matrix method coupled to a two-diode model, and is calibrated to experimental data of a GaAs photovoltaic device over laser irradiance and temperature. Since the laser wavelength does not strongly influence the open circuit voltage of the laser power converter, the optimal laser wavelength is determined to be in the range where the external quantum efficiency is maximal, but weighted by the photon flux of the laser.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Visualiser of two-micron laser radiation based on Ho:CaF{sub 2} crystals

The anti-Stokes luminescence spectra of Ho:CaF{sub 2} crystals corresponding to the {sup 5}G{sub 4} → {sup 5}I{sub 8}, {sup 5}G{sub 5} → {sup 5}I{sub 8}, {sup 5}F{sub 3} → {sup 5}I{sub 8}, {sup 5}F{sub 4}({sup 5}S{sub 2}) → {sup 5}I{sub 8}, {sup 5}F{sub 5} → {sup 5}I{sub 8}, {sup 5}S{sub 2} → {sup 5}I{sub 7}, {sup 5}I{sub 4} → {sup 5}I{sub 8}, {sup 5}I{sub 5} → {sup 5}I{sub 8}, {sup 5}F{sub 5} → {sup 5}I{sub 7}, {sup 5}F{sub 3} → {sup 5}I{sub 6}, {sup 5}I{sub 6} → {sup 5}I{sub 8}, {sup 5}F{sub 5} → {sup 5}I{sub 6}, and {sup 5}I{sub 5} → {sup 5}I{sub 7} transitions upon excitation of the {sup 5}I{sub 7} level of Ho{sup 3+} ions are studied. A method for visualisation of IR radiation in the two-micron range using Ho:CaF{sub 2} crystals is proposed. The energy efficiency of conversion of two-micron laser radiation to radiation in the red spectral range 620 – 690 nm by a 1 mol % HoF{sub 3}:CaF{sub 2} crystal is estimated to be no higher than 0.02%. (nonlinear optical phenomena)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Parametric interaction of optical waves in metamaterials under low-frequency pumping

The influence of phase effects under three-wave parametric interaction and low-frequency pumping in metamaterials is studied in the case of a negative refractive index at a signal-wave frequency. It is found that the efficiency of the backward signal-wave amplification is the higher, the greater the ratio of the intensities of the idler and signal waves at the input to the metamaterial. An increase in the idler wave intensity at the input by five times, as compared to the signal-wave intensity, leads to a nonlinear increase in the signal-wave amplification by almost 20 times. According to the analytic expressions obtained in the constant-intensity approximation, the choice of the optimal parameters for the pump intensity, total length of the metamaterial and phase detuning will facilitate the implementation of regimes of effective amplification and generation of the signal wave. A comparison is made with the results obtained in the constant-field approximation, and a numerical estimate of the expected efficiency of the frequency conversion is presented. Control of frequency and pump power is shown to make possible the smooth tuning of the parametric converter frequency. The developed method can be used to design frequency converters based on nonlinear metamaterials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Remote operation of the DIII-D National Fusion Facility

Abstract Full remote scientific operation of the DIII-D National Fusion Facility is now possible through significant advances in the computer science hardware and software infrastructure made over the last decade. Capabilities around information visualization, data movement, and communication have all been enhanced. The level of capability deployed to remotely operate DIII-D required an infrastructure advancement over what had previously been achieved in the fusion community. The large quantity of real-time data that is automatically displayed on DIII-D’s control room screens can now be visualized by remote participants via web-based applications. New audio/video solutions using the VoIP and instant messaging application Discord have been implemented to mimic the dynamic and ad-hoc scientific conversations that are critical in successfully operating an experimental campaign. Discord’s ability for a user to rapidly move between audio channels, text with images, and share screens is a significant enhancement over traditional videoconferencing tools. In addition, multiple combinations of broadcast audio are made available via a web-based application to allow remote participants to simultaneously listen to general announcements/sounds while conducting their own specific conversations. Secure methodologies have been put into place to allow remote control of hardware including DIII-D’s plasma control system application. Secure methods also included the ability of the on-site team to closely coordinate their work with remote team members which has been enhanced through extensions to the wireless network and the use of tablet computers for audio/video/screen sharing. However, no amount of software can fully replace the need for ‘hands on hardware.’ This infrastructure was severely stress tested during the COVID-19 pandemic where occupancy of the DIII-D control room was restricted. Operational efficiency during the pandemic, measured in discharges per hour, remained high (3.8 ± 0.8) compared to values obtained pre-pandemic (3.7 ± 0.8).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

SU-C-207A-03: Development of Proton CT Imaging System Using Thick Scintillator and CCD Camera

Purpose: In the treatment planning of proton therapy, Water Equivalent Length (WEL), which is the parameter for the calculation of dose and the range of proton, is derived by X-ray CT (xCT) image and xCT-WEL conversion. However, about a few percent error in the accuracy of proton range calculation through this conversion has been reported. The purpose of this study is to construct a proton CT (pCT) imaging system for an evaluation of the error. Methods: The pCT imaging system was constructed with a thick scintillator and a cooled CCD camera, which acquires the two-dimensional image of integrated value of the scintillation light toward the beam direction. The pCT image is reconstructed by FBP method using a correction between the light intensity and residual range of proton beam. An experiment for the demonstration of this system was performed with 70-MeV proton beam provided by NIRS cyclotron. The pCT image of several objects reconstructed from the experimental data was evaluated quantitatively. Results: Three-dimensional pCT images of several objects were reconstructed experimentally. A finestructure of approximately 1 mm was clearly observed. The position resolution of pCT image was almost the same as that of xCT image. And the error of proton CT pixel value was up to 4%. The deterioration of image quality was caused mainly by the effect of multiple Coulomb scattering. Conclusion: We designed and constructed the pCT imaging system using a thick scintillator and a CCD camera. And the system was evaluated with the experiment by use of 70-MeV proton beam. Three-dimensional pCT images of several objects were acquired by the system. This work was supported by JST SENTAN Grant Number 13A1101 and JSPS KAKENHI Grant Number 15H04912.

60 APPLIED LIFE SCIENCES↗

SU-F-T-136: Breath Hold Lung Phantom Study in Using CT Density Versus Relative Stopping Power Ratio for Proton Pencil Beam Scanning System

Purpose: To evaluate mass density effects of CT conversion table and its variation in current treatment planning system of spot scanning proton beam using an IROC proton lung phantom for this study. Methods: A proton lung phantom study was acquired to Imaging and Radiation Oncology Core Houston (IROC) Quality Assurance Center. Inside the lung phantom, GAF Chromic films and couples of thermal luminescent dosimeter (TLD) capsules embedded in specified PTV and adjacent structures to monitor delivered dosage and 3D dose distribution profiles. Various material such as cork (Lung), blue water (heart), Techron HPV (ribs) and organic material of balsa wood and cork as dosimetry inserts within phantom of solid water (soft tissue). Relative stopping power (RLSP) values were provided. Our treatment planning system (TPS) doesn’t require SP instead relative density was converted relative to water. However lung phantom was irradiated by planning with density override and the results were compared with IROC measurements. The second attempt was conducted without density override and compared with IROC’s. Results: The higher passing rate of imaging and measurement results of the lung phantom irradiation met the criteria by IROC without density override. The film at coronal plane was found to be shift due to inclined cylinder insertion. The converted CT density worked as expected to correlate relative stopping power. Conclusion: The proton lung phantom provided by IROC is a useful tool to qualify our commissioned proton pencil beam delivery with TPS within reliable confidence. The relative mass stopping power ratios of materials were converted from the relative physical density relative to water and the results were satisfied.

60 APPLIED LIFE SCIENCES↗

Stable tuning of photorefractive microcavities using an auxiliary laser

Cavity nonlinear optics enables intriguing physical phenomena to occur at micro- or nano-scales with modest input powers. While this enhances capabilities in applications such as comb generation, frequency conversion, and quantum optics, undesired nonlinear effects including photorefraction and thermal bistability are exacerbated. In this Letter, we propose and demonstrate a highly effective method of achieving cavity stabilization using an auxiliary laser for controlling photorefraction in a z-cut periodically poled lithium niobate (LN) microcavity system. Our numerical study accurately models the photorefractive effect under high input powers, guiding future analyses and development of LN microcavity systems.

42 ENGINEERING↗

Transplant rejection and tolerance – advancing the field through integration of computational and experimental investigation

This Research Topic provides a venue for stimulating these interdisciplinary conversations in the context of transplantation. The articles collected under this Research Topic introduce new theoretical and experimental studies that describe novel techniques and methods for understanding the interactions between the immune response and transplants and for establishing more effective strategies of diagnosis and intervention that will promote transplant tolerance.

60 APPLIED LIFE SCIENCES↗

Performance and Reliability of Bonded Interfaces for High-temperature Packaging: Annual Progress Report

As maximum device temperatures approach 200 °Celsius, continuous operation, sintered silver materials promise to maintain bonds at these high temperatures without excessive degradation rates. A detailed characterization of the thermal performance and reliability of sintered silver materials and processes has been initiated for the next year. Future steps in crack modeling include efforts to simulate crack propagation directly using the extended finite element method (X-FEM), a numerical technique that uses the partition of unity method for modeling discontinuities such as cracks in a system.

30 DIRECT ENERGY CONVERSION↗

Final Report: Scale-up of Algal Biofuel Production Using Waste Nutrients

Renewable fuels can be more environmentally friendly than conventional fuels and can be produced locally, supporting energy independence. Liquid renewable fuels are of special interest due to their high energy density. Algae are a promising prospective feedstock for low carbon intensity liquid biofuels, due to their high productivity and potential for high lipid or carbohydrate content. Their ability to grow on wastewater and waste nutrients and on non-arable land are cost and sustainability advantages. The organic matter content of wastewater promotes mixotrophic and/or heterotrophic growth of both algae and bacteria, boosting biomass productivity further. However, economic and technologic challenges persist that prevent the scale-up of algal biofuels to commercial relevance. These challenges include algal harvesting, drying, dewatering, and the conversion of algal biomass to usable fuels (Hannon et al 2010, Dunlap and Shaw 2009, Pienkos et al. 2009). The US Department of Energy (DOE) Bioenergy Technologies Office (BETO) supports research to overcome these challenges and outlines the research and development goals for algal biofuels in their Multi-Year Program Plan (MYPP). The long-term goals of the MYPP for algal biofuels research are briefly as follows: develop the domestic ability to produce algal biofuels at a scale of 5 billion gallons per year (BGY) by 2030 and demonstrate technologies that produce biofuel intermediates from algae at a cost of $3/gallon of gasoline equivalent (GGE) by 2022 (BETO MYPP 2016). This research reported herein was funded to investigate methods of meeting an intermediate milestone of 2,500 gallons of biofuel intermediate per acre per year for a non-integrated process by improving algal productivity, harvesting efficiency, and conversion to biofuel intermediates. Use of wastewater and wastewater nutrients was a key distinguishing characteristic of this project. In pursuit of 2,500 gallons of biofuel intermediate (BFI) per acre per year, California Polytechnic State University, San Luis Obispo (Cal Poly) sought to develop the capability to produce biofuel intermediates from microalgae grown on municipal wastewater at a 20-acre algae-based wastewater treatment facility in Delhi, California (37.43° N), which includes 7 acres of raceway ponds. Coupling algal biofuel production with wastewater treatment capitalizes on the abundant waste nutrients and carbon present in wastewater and reduces use of clean water in algal biorefinery systems. In this research, the performance of the full-scale wastewater treatment plant was characterized by measuring productivity, wastewater treatment performance, hydraulic characteristics, and energy consumption. Nine 1,000-L pilot raceways with CO2 addition were used in experiments to maximize productivity. Low-cost, energy-efficient algae bioflocculation and settling were monitored. Population genetics were monitored in an attempt to correlate taxa with superior productivity and/or settling. Algae-bacterial biomass was converted to biofuel intermediates via bench-scale hydrothermal liquefaction (HTL), and the resulting fuel quality was characterized. To develop rapid strain screening capabilities, a climate simulating photobioreactor (“LEAPS”) was developed and validated against outdoor raceways. A techno-economic analysis (TEA) and a lifecycle assessment (LCA) were performed to model process economics and sustainability. The major outcomes of this research included demonstration of 33 g/m2-day annual average algal-bacterial productivity in pilot raceways, and a biofuel intermediate yield of 0.35 g intermediate/g algae biomass via HTL, for a yield of 4,100 gallons BFI per acre per year, assuming a 90% harvest efficiency and ignoring other minor losses. This exceeded the project goal of 2,500 gallons of BFI per acre per year and nearly met the 2030 program goal, highlighting the promise of integrating wastewater treatment and biofuels production. The biocrude BFI produced by the process is refined to diesel and naphtha fuels. These fuels are normalized to the energy content of gasoline (gallons gasoline equivalent, GGE, for comparison to other fuels). Results from the TEA of the this complete “well-to-wheel” process demonstrated that, at a 400-ha scale, a minimum fuel selling price (MFSP) of $12.55/GGE, which could be decreased 57% to $7.14/GGE when including revenue from coupling the biofuel production with the co-products of wastewater treatment services and low carbon fuel credits from California and Federal programs. Due mainly to the high capital costs of thickener centrifuges and hydrothermal processing equipment, the fuel cost is sensitive to scale, with significantly lower costs expected for larger farms. In this research project, significant advances were made in improving raceway algal productivity and fuel production from algae biomass, while also improving process economics. These outcomes brought the algal biofuel technology closer to being a sustainable and marketable process. The remainder of this executive summary is organized into the following six primary project tasks: (1) to optimize biomass productivity for a selected strain at Delhi, (2) to maximize algal productivity and harvesting efficiency in Delhi pilot ponds, (3) a full-scale raceway hydraulic characterization, (4) biomass processing to biofuel intermediates, and (5) scale-up engineering analysis, modeling, and planning.

09 BIOMASS FUELS↗

Multimodal Ligand Non-Innocence for Reduction Catalysis (Final Technical Report)

The goal of this project was to develop multimodal ligand non-innocence in late transition metal complexes of aminophenolate ligands and to apply this ligand-centered reactivity to small-molecule reduction reactions relevant to energy-conversion chemistry. Specific aims were, 1) Prepare new coordination complexes of aminophenolate ligands and characterize them using a battery of structural, spectroscopic, and computational methods. 2) Benchmark the thermodynamics and kinetics of e - , H + , H • , and H - transfer reactivity to establish the baseline reactivity of new metal complexes containing aminophenolate ligands. 3) Apply new aminophenolate complexes to catalytic reduction reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Three-dimensional boron particle loaded thermal neutron detector

Three-dimensional boron particle loaded thermal neutron detectors utilize neutron sensitive conversion materials in the form of nano-powders and micro-sized particles, as opposed to thin films, suspensions, paraffin, etc. More specifically, methods to infiltrate, intersperse and embed the neutron nano-powders to form two-dimensional and/or three-dimensional charge sensitive platforms are specified. The use of nano-powders enables conformal contact with the entire charge-collecting structure regardless of its shape or configuration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗