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At least 1,063 records · Page 59

The electron–hole overlap in the parabolic quantum well light emitting diode is much superior to the rectangular: even to that of a staggered quantum well

The strong piezoelectric field in the In{sub x}Ga{sub 1−x}N/GaN quantum well (QW) LEDs, separates the electrons and holes spatially, which decreases the luminescence. Various shapes and compositions of such QWs are studied to improve the performance. We have studied the transition energy (TE), overlap of electron and hole wave functions, band structures and field distributions of the parabolic QWs (PQW) through the self consistent solutions of Schrödinger and Poisson equations. The shape of the PQW is varied along with the compositions and dopings. The square of the overlap of electron and hole wave functions i.e. the transition probability (TP) is strikingly increased, compared to the rectangular QW and it is even higher than the symmetrically staggered QW. At a particular current density, for the same TE, the TP of the PQW increases more than two times that of the rectangular QWs. An important feature, desirable for the QW LEDs emerge. The change of the TE with increase in the current density is minimized. A brief theory, computational procedures and the results will be presented in details with suitable discussions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

CSK hopping pattern model for visible light communication networks

This paper proposes a new channel access method for visible light communications. The transmitter uses the CSK hopping pattern mode to load data to the R, G, and B light-emitting diodes of LEDs and establishes the network access point (AP) of the LEDs for the illumination coverage area. The coordinator controls the work of each AP to ensure that it simultaneously uses different color patterns to distinguish its respective networks. When the receiver (mobile terminal) detects a particular color pattern in the illumination coverage area, it establishes a communication access network process with the AP that is transmitting the particular color pattern. The advantage of this method is that interference between adjacent APs can be avoided. In addition, due to the simplification of the access network, the proposed CSK hopping model can shorten delays in the terminal’s access network. Through modeling and simulation, it is found that this method can effectively support network power and reduce network delay. Moreover, the fairness and stability of terminals that access the network are improved to a certain extent.

42 ENGINEERING↗

Design of Novel Precipitate-Strengthened Al-Co-Cr-Fe-Nb-Ni High-Entropy Superalloys

Here, a series of non-equiatomic Al-Co-Cr-Fe-Nb-Ni high-entropy alloys, with varying levels of Co, Nb and Fe, were investigated in an effort to obtain microstructures similar to conventional Ni-based superalloys. Elevated levels of Co were observed to significantly decrease the solvus temperature of the γ' precipitates. Both Nb and Co in excessive concentrations promoted the formation of Laves and NiAl phases that formed either during solidification and remained undissolved during homogenization or upon high-temperature aging. Lowering the content of Nb, Co, or Fe prevented the formation of the eutectic type Laves. In addition, lowering the Co content resulted in a higher number density and volume fraction of the γ' precipitates, while increasing the Fe content led to the destabilization of the γ' precipitates. Various aging treatments were performed which led to different size distributions of the strengthening phase. Results from the microstructural characterization and hardness property assessments of these high-entropy alloys were compared to a commercial, high-strength Ni-based superalloy RR1000. Potentially, precipitation-strengthened high-entropy alloys could find applications replacing Ni-based superalloys as structural materials in power generation applications.

36 MATERIALS SCIENCE↗

The Effect of Titanium Dioxide (TiO{sub 2}) Nanoparticles on Hydroxyapatite (HA)/TiO{sub 2} Composite Coating Fabricated by Electrophoretic Deposition (EPD)

Composite coatings of Hydroxyapatite (HA) with ceramics, polymers and metals are used to modify the surface structure of implants. In this research, HA/TiO{sub 2} composite coating was fabricated by electrophoretic deposition (EPD) on 316 stainless steel substrate. HA/TiO{sub 2} composite coatings with 5, 10 and 20 wt.% of TiO{sub 2}, deposited at 40 V and 90 s as an optimum condition. The samples coated at this condition led to an adherent, continuous and crack-free coating. The influence of TiO{sub 2} content was studied by performing different characterization methods such as scanning electron microscopy (SEM), energy dispersive x-ray spectroscopy (EDS), corrosion resistance in simulated body fluid (SBF), coating’s dissolution rate in physiological solution and bond strength to the substrate. The results showed that the higher amount of TiO{sub 2} in the composite coating led to increase in bond strength of coating to stainless steel substrate from 3 MPa for HA coating to 5.5 MPa for HA-20 wt.% TiO{sub 2} composite coating. In addition, it caused to reduction of corrosion current density of samples in the SBF solution from 18.92 μA/cm{sup 2} for HA coating to 6.35 μA/cm{sup 2} for HA-20 wt.% TiO{sub 2} composite coating.

36 MATERIALS SCIENCE↗

Enhanced Hot Tensile Ductility of Mg-3Al-1Zn Alloy Thin-Walled Tubes Processed Via a Combined Severe Plastic Deformation

In the current study, combined parallel tubular channel angular pressing (PTCAP) and tube backward extrusion (TBE), as a recently developed severe plastic deformation (SPD) method, were applied at 300 °C on a commercial Mg-3Al-1Zn alloy tubes to achieve an ultrafine grained structure. Then, the microstructure, hardness, tensile properties, and fractography evaluations were done at room temperature on the SPD-processed samples. Also, to study the hot tensile ductility of the SPD-processed samples, tensile testing was performed at an elevated temperature of 400 °C, and then, the fractured surface of the tensile samples was studied. It was observed that a bimodal microstructure, with large gains surrounded by many tiny ones, was created in the sample processed by PTCAP followed by TBE. This microstructure led to reach higher hardness and higher strength at room temperature and also led to reach very high elongation to failure (~ 181%) at 400 °C. Also, the value of elongation to failure for this sample was ~ 14.1% at room temperature. The fractographic SEM images showed the occurrence of predominately ductile fracture in the samples pulled at 400 °C. This was mostly due to the nucleation of microvoids and their subsequent growth and coalescence with each other.

36 MATERIALS SCIENCE↗

The Effect of Boron and Zirconium on the Structure and Tensile Properties of the Cast Nickel-Based Superalloy ATI 718Plus

The effects of boron and zirconium on cast structure, hardness, and tensile properties of the nickel-based superalloy 718Plus were investigated. For this purpose, five alloys with different contents of boron and zirconium were cast via vacuum induction melting and then purified via vacuum arc remelting. Microstructural analysis by light-optical microscope and scanning electron microscope equipped with energy-dispersive x-ray spectroscopy and phase studies by x-ray diffraction analysis were performed. The results showed that boron and zirconium tend to significantly reduce dendritic arm spacing and increase the amount of Laves, Laves/gamma eutectic, and carbide phases. It was also found that boron led to the formation of B{sub 4}C and (Cr, Fe, Mo, Ni, Ti){sub 3}B{sub 2} phases and zirconium led to the formation of intermetallic phases and ZrC carbide. In the presence of boron and zirconium, the hardness and its difference between dendritic branches and inter-dendritic spaces increased by concentrating such phases as Laves in the inter-dendritic spaces. These elements had a negative effect on tensile properties of the alloy, including ductility and strength, mainly because of the increase in the Laves phase. It should be noted that the largest degradation of the tensile properties occurred in the alloys containing the maximum amount of zirconium.

36 MATERIALS SCIENCE↗

Shear Assisted Processing and Extrusion (ShAPE™) of AZ91E Flake: A Study of Tooling Features and Processing Effects

Charges of melt-spun AZ91E flake were indirectly extruded into tubes using Shear Assisted Processing and Extrusion (ShAPE™). The effect of instrument parameters and tool features on densification and microstructural evolution was studied. At a constant extrusion ratio, the tool rotational velocity varied from 75 to 300 rpm and was demonstrated to reduce the forge force by a factor of four. Modification of the extrusion die face with successively more aggressive scrolled features was found to enhance material flow into the extrusion orifice which led to a 30% reduction in spindle torque. Microstructure, texture and hardness are reported for the range of rpm and scroll geometries investigated. It was observed that the ShAPE™ process is able to retain the average grain size of the as-spun flake (2.5-4 μm) while simultaneously imparting strong textural alignment in the resultant tube.

36 MATERIALS SCIENCE↗

Surface Treatment of Powder-Bed Fusion Additive Manufactured Metals for Improved Fatigue Life

High-cycle fatigue (HCF) tests were conducted on samples fabricated by two powder-bed additive manufacturing techniques. Samples were tested with as-produced surfaces and after various non-contact surface improvement treatments. Ti-6Al-4V samples were made using both electron beam melting (EBM) and selective laser melting (SLM), while Inconel 625 was fabricated using SLM. Ti-6Al-4V was treated with a commercial chemically accelerated vibratory polishing process, with target material removal of approximately 200 µm from each surface for EBM samples and 100 µm for SLM samples. This technique led to increases in both the number of cycles before failure at a given loading condition and endurance limit (at 10{sup 7} cycles) compared to samples with as-produced surfaces. The results are interpreted as the reduction in elastic stress concentration factor associated with surface defects where fatigue cracks initiate. SLM 625 was treated with both an abrasive polishing method and laser surface remelting. Both methods led to improvements in surface roughness, but these did not lead to improvements in fatigue properties of SLM 625. For abrasive polished samples, the combination of improved measured surface roughness without fatigue property enhancement suggests that surface material is removed, but the roots of surface defects, where fatigue cracks initiate, were left intact. For laser treatment, the remelted surface layer retained a rapidly solidified microstructure that did not increase the number of cycles before crack initiation even though the surface was smoother compared to the surface prior to polishing.

36 MATERIALS SCIENCE↗

Microstructure and Mechanical Properties of As-Cast γ-TiAl Alloys with Different Cooling Rates

γ-TiAl alloys composed of Ti-45Al-5Nb-1W-1B (at.%) solidified at three different cooling rates by vacuum electromagnetic induction melting under a controlled degree of vacuum of under 2 Pa. The influence of the cooling rate on the microstructure and mechanical properties of the γ-TiAl alloy samples was investigated. A relatively large temperature gradient at the beginning of solidification led to a thin fine-grained layer around the graphite mold, and undercooling had two main effects: (a) promoting nucleation in the grain-refining surface layer and (b) promoting the growth of columnar crystals beneath the surface. Moreover, all prepared ingots of this alloy could be clearly divided into Regions S, M and C from the surface to the core. The colony size of Region M was larger than those of the other two regions due to composition segregation and the growth of columnar grains. The existence of tungsten led to micro-inhomogeneity, and the mechanical properties of the alloy changed according to concentration fluctuations. The degrees of homogeneity were expressed as H{sub 0.1} and H{sub 0.2}. The alloy with the highest values, which possesses the best mechanical properties, solidified at a relatively low cooling rate. The deformation mechanism is also discussed.

36 MATERIALS SCIENCE↗

Creep Deformation and Rupture Behavior of P92 Steel Weld Joint Fabricated by NG-TIG Welding Process

The creep deformation and rupture behavior of P92 steel weld joint fabricated by narrow-gap TIG (NG-TIG) welding process have been investigated at 923 K over a stress range of 80-140 MPa. The prior-austenite grain size, M{sub 23}C{sub 6} precipitate size and hardness have been found to vary significantly in the weld joint. The reduction in hardness from weld metal to base metal with a trough at the outer edge of heat-affected zone (HAZ) has been observed. Coarsening of M{sub 23}C{sub 6} precipitate, recovery of martensite lath dislocation structure and formation of subgrain structure led to lower hardness in the intercritical HAZ. The creep rupture life of NG-TIG weld joint was lower than the base metal, the difference in creep rupture life between base metal and weld joint has been increased significantly with decrease in applied stress. The fracture location in the joint changed from base metal at high-stress regime to the fine grain (FG) HAZ (Type IV cracking) under lower stress level. Fracture in the FGHAZ evidenced the significant reduction in ductility, localized deformation and extensive localized cavitation. Extensive Laves phase formation with significant loss of solution strengthening contribution from tungsten and coarsening of M{sub 23}C{sub 6} precipitate with prolonged creep exposure led to reduction in hardness and more extensive cavitation in the FGHAZ resulting in premature Type IV failure of the weld joint. Weld strength reduction factor about 0.59 has been evaluated for 10{sup 5} h at 923 K.

36 MATERIALS SCIENCE↗

Cardiac Amyloidosis: Updates in Imaging

Purpose of Review: We summarize key features pertaining to the two most commonly encountered types of cardiac amyloidosis (CA), monoclonal immunoglobulin light chain (AL) and transthyretin type (ATTR), expanding upon the clinical application and utility of various imaging techniques in diagnosing CA. Recent Findings: Advances in imaging have led to earlier identification, improved diagnosis of CA and higher discriminatory power to differentiate CA from other hypertrophic phenocopies. The application of cardiac magnetic resonance imaging (CMR) has led to a deeper understanding of underlying pathophysiological processes in CA, owing largely to its intrinsic tissue characterization properties. The widespread adoption of bone scintigraphy algorithms has reduced the need for cardiac biopsy and improved diagnostic confidence in ATTR CA. Summary: As new treatments for CA are rapidly developing, there will be even greater reliance on imaging, as the requirement to diagnose disease earlier, monitor response and amend treatment strategies accordingly intensifies.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Surface Induced Dissociation Coupled with High Resolution Mass Spectrometry Unveils Heterogeneity of a 211 kDa Multicopper Oxidase Protein Complex

Manganese oxidation is an important biogeochemical process that is largely regulated by bacteria through enzymatic reactions. However, the detailed mechanism is poorly understood due to challenges in isolating and characterizing these unknown enzymes. A manganese oxidase, Mnx, from Bacillus sp. PL-12 has been successfully overexpressed in active form as a protein complex with a molecular mass of 211 kDa. We have recently used surface induced dissociation (SID) and ion mobility-mass spectrometry (IM-MS) to release and detect folded subcomplexes for determining subunit connectivity and quaternary structure. The data from the native mass spectrometry experiments led to a plausible structural model of this multicopper oxidase, which has been difficult to study by conventional structural biology methods. It was also revealed that each Mnx subunit binds a variable number of copper ions. Becasue of the heterogeneity of the protein and limited mass resolution, ambiguities in assigning some of the observed peaks remained as a barrier to fully understanding the role of metals and potential unknown ligands in Mnx. In this study, we performed SID in a modified Fourier transform-ion cyclotron resonance (FTICR) mass spectrometer. The high mass accuracy and resolution offered by FTICR unveiled unexpected artificial modifications on the protein that had been previously thought to be iron bound species based on lower resolution spectra. Additionally, isotopically resolved spectra of the released subcomplexes revealed the metal binding stoichiometry at different structural levels. This method holds great potential for in-depth characterization of metalloproteins and protein–ligand complexes. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Oxygen and relative humidity monitoring with films tailored for enhanced photoluminescence

In this study, approaches to generate porous or doped sensing films, which significantly enhance the photoluminescence (PL) of oxygen optical sensors, and thus improve the signal-to-noise (S/N) ratio, are presented. Tailored films, which enable monitoring the relative humidity (RH) as well, are also presented. Effective porous structures, in which the O 2 -sensitive dye Pt octaethylporphyrin (PtOEP) or the Pd analog PdOEP was embedded, were realized by first generating blend films of polyethylene glycol (PEG) with polystyrene (PS) or with ethyl cellulose (EC), and then immersing the dried films in water to remove the water-soluble PEG. This approach creates pores (voids) in the sensing films. The dielectric contrast between the films’ constituents and the voids increases photon scattering, which in turn increases the optical path of the excitation light within the film, and hence light absorption by the dye, and its PL. Optimized sensing films with a PEG:PS ratio of 1:4 (PEG’s molecular weight M w ~8000) led to ~4.4× enhancement in the PL (in comparison to PS films). Lower M w ~200 PEG with a PEG:EC ratio of 1:1 led to a PL enhancement of ~4.7×. Film-dependent PL enhancements were observed at all oxygen concentrations. The strong PL enhancement enables (i) using lower dye (luminophore) concentrations, (ii) reducing power consumption and enhancing the sensor’s operational lifetime when using organic light emitting diodes (OLEDs) as excitation sources, (iii) improving performance when using compact photodetectors with no internal gain, and (iv) reliably extending the dynamic range.

47 OTHER INSTRUMENTATION↗

NASA analysis of space mission options for the 2025 planetary defense conference hypothetical asteroid impact threat scenario

The 2025 Planetary Defense Conference (PDC) hypothetical asteroid impact threat exercise is being conducted in coordination with the United Nations-endorsed Space Mission Planning Advisory Group (SMPAG), exercising SMPAG's processes for assessing space mission options and communicating to decision makers. Here, in this paper, we describe the work performed by our NASA-led team and present the results we contributed to the SMPAG effort for the exercise. Our NASA-led team assessed mission options for asteroid reconnaissance (flyby and rendezvous), deflection, and robust disruption using several viable techniques: kinetic impactors, ion beam deflection, and nuclear explosive devices. Our simulations and analyses considered how much change-in-velocity an asteroid can tolerate before fragmentation onset, and we worked towards establishing requirements for robustly disrupting an asteroid. Heuristics informed by the simulation results are incorporated into optimization of deflection and disruption mission campaign options. Finally, we make some observations about useful generalizations from these results with potential applicability to any planetary defense scenario.

Asteroid deflection↗

Expression of a clostridial [FeFe]-hydrogenase in Chlamydomonas reinhardtii prolongs photo-production of hydrogen from water splitting

The high oxygen (O 2 ) sensitivity of green algal [FeFe]-hydrogenases is a significant limitation for the sustained production of hydrogen gas (H 2 ) from photosynthetic water splitting. To address this limitation we replaced the native [FeFe]-hydrogenases with a more O 2 -tolerant clostridial [FeFe]-hydrogenase CaI in Chlamydomonas reinhardtii strain D66ΔHYD ( hydA1 – hydA2 – ) that contains insertionally inactivated [FeFe]-hydrogenases genes. Expression and translocation of CaI in D66ΔHYD led to the recovery of H 2 photoproduction at ~ 20% of the rates of the wild-type parent strain D66. We show for the first time that a bacterial [FeFe]-hydrogenase can be expressed, localized and matured to a catalytically active form that couples to photosynthetic electron transport in the green alga C. reinhardtii . The lower rates of O 2 inactivation of CaI led to more sustained H 2 photoproduction when cultures were challenged with O 2 or kept under prolonged illumination at solar intensities. Lastly, these results provide new insights into the requisites for attaining photobiological H 2 production from water splitting using a more O 2 -tolerant hydrogenase.

08 HYDROGEN↗

Assessment of SCALE and MELCOR for a generic pebble bed fluoride high-temperature reactor

This paper presents the development and application of SCALE and MELCOR models for a fluoride salt-cooled high-temperature reactor (FHR) based on publicly available specifications. SCALE version 6.3beta15 was used to generate power distributions and decay heat curves, and MELCOR version 2.2.18019 was used to calculate the thermal hydraulic response of an assumed FHR primary system. Here, an approach was developed for determining the equilibrium state of the core using depletion of a core slice model and blending of fuel compositions at different burnups to provide three-dimensional fuel composition in the core. Results compared between a core with entirely fresh fuel and one with an equilibrium fuel composition revealed that the equilibrium core led to lower steady-state temperatures but slower cooldown during a loss of flow accident (LOFA). A sensitivity study was then conducted to explore the transient response of our FHR system to variations in thermal hydraulic parameters of the system using the equilibrium core. The inlet temperature, graphite thermal conductivity, and SCRAM time all provided significant control over peak fuel and coolant temperatures. Uncertainties in radionuclide decay data in SCALE were used to perform a decay heat sensitivity study, and we found that uncertainties in decay heat led to negligible impact on peak temperatures during the course of the transient. In all cases evaluated, the observed peak fuel temperatures remained approximately 700 K below anticipated failure limits for the LOFA.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Soliton solutions in two-dimensional Lorentz-violating higher derivative scalar theory

This paper shows a new approach to obtain analytical topological defects of a 2D Myers–Pospelov Lagrangian for two scalar fields. Such a Lagrangian presents higher-order kinetic terms, which lead us to equations of motion which are non-trivial to be integrated. Here we describe three possible scenarios for the equations of motion, named by timelike, spacelike and lightlike respectively. We started our investigation with a kink-like traveling wave Ansatz for the free theory, which led us to constraints for the dispersion relations of each scenario. We also introduced a procedure to obtain analytical solutions for the general theory in the three mentioned scenarios. We exemplified the procedure and discussed the behavior of the defect solutions carefully. It is remarkable that the methodology presented in this study led to analytical models, despite the complexity of the equations of motion derived from the 2D Myers–Pospelov Lagrangian. The methodology here tailored can be applied to several Lagrangians with higher-order derivative terms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Elucidation of Fe-N-C electrocatalyst active site functionality via in-situ X-ray absorption and operando determination of oxygen reduction reaction kinetics in a PEFC

In the past decade the notable effort placed on improving intrinsic electrochemical kinetics of platinum group metal (PGM)-free electrocatalysts for the oxygen reduction reaction (ORR) has led to a significant improvement in both performance and understanding of this class of electrocatalysts. However, a limited amount of this development and understanding has been undertaken using operando electrochemical diagnostics at the membrane electrode assembly (MEA) level. In this work, the operando ORR kinetics on an atomically dispersed iron-nitrogen-carbon ((AD)Fe-N-C) PGM-free electrocatalyst have been examined to extract the reaction order and the activation energy of the ORR. The experiments were carefully designed to ensure the stability/predictability of the electrocatalyst during the data collection process and thus validate the relevance of the values obtained for the aforementioned parameters. A kinetic model that considers a potential-dependent availability of active sites (θ) is proposed. Active site availability is shown to be a function of both the change in the oxidation state (nR) and the redox potential at which the metal center transitions from a higher oxidation state to a lower one (). The resulting model fitting parameters for nR and (0.71 and 0.788 V, respectively) obtained from the analysis of operando data correlate well with those from in situ X-ray absorption near edge structure measurements (nR=0.57) and in situ cyclic voltammetry measurements (0.75 V < <0.8 V) in the MEA environment. The resulting model provides an excellent fit of MEA performance across the range of pressures, temperatures, and potentials under which the data were collected.

Activation energy↗