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At least 1,369 records · Page 76

Aqueous stress-corrosion cracking of high-toughness D6AC steel

The crack growth behavior of D6AC steel as a function of stress intensity, stress and corrosion history, and test technique, under sustained load in filtered natural seawater, 3.3 per cent sodium chloride solution, and distilled water, was investigated. Reported investigations of D6AC were considered in terms of the present study with emphasis on thermal treatment, specimen configuration, fracture toughness, crack-growth rates, initiation period, and threshold. Both threshold and growth kinetics were found to be relatively insensitive to these test parameters. The apparent incubation period was dependent on technique, both detection sensitivity and precracking stress intensity level.

Gilbreath, W. P.↗

The momentum transfer of incompressible turbulent separated flow due to cavities with steps

An experimental study was conducted using a plate test bed having a turbulent boundary layer to determine the momentum transfer to the faces of step/cavity combinations on the plate. Experimental data were obtained from configurations including an isolated configuration and an array of blocks in tile patterns. A momentum transfer correlation model of pressure forces on an isolated step/cavity was developed with experimental results to relate flow and geometry parameters. Results of the experiments reveal that isolated step/cavity excrecences do not have a unique and unifying parameter group due in part to cavity depth effects and in part to width parameter scale effects. Drag predictions for tile patterns by a kinetic pressure empirical method predict experimental results well. Trends were not, however, predicted by a method of variable roughness density phenomenology.

White, R. E.↗

Thermal barrier coating life prediction model development

A life prediction model for correlating the spallation life of ceramic thermal barrier coatings is developed which includes both cyclic and time-dependent damage. The cyclic damage is related to the calculated cyclic inelastic strain range, while the time-dependent damage is related to the oxidation kinetics at the bond-ceramic interface. The cyclic inelastic strain range is calculated using a modified form of the Walker viscoplastic material model; calculation of the oxidation kinetics is based on traditional oxidation algorithms using experimentally determined parameters. The correlation between the actual and predicted spallation lives is within a factor of 3.

Cruse, T. A.↗

Current driven instabilities of an electromagnetically accelerated plasma

Quantitative measurements of the plasma instability that strongly affects the efficiency and lifetime of electromagnetic plasma accelerators were obtained. Experimental results are presented for the dispersion relations (wave phase velocities), spatial growth rates, and stability boundaries of accelerators. The measured critical wave parameters are found to agree well with theoretical predictions. A kinetic theoretical model was used to study current driven instabilities which are intrinsic to the high-current-carrying magnetized plasma of a magnetoplasmadynamic accelerator. Under certain conditions, marginally stable waves travelling almost perpendicular to the magnetic field are found which travel at a velocity equal to that of the electron current.

Kelly, A. J.↗

Fissioning Plasma Core Reactor

Institute for Scientific Research, Inc. (ISR) research program consist of: 1.Study core physics by adapting existing codes: MCNP4C - Monte Carlo code; COMBINE/VENTURE - diffusion theory; SCALE4 - Monte Carlo, with many utility codes. 2. Determine feasibility and study major design parameters: fuel selection, temperature and reflector sizing. 3. Study reactor kinetics: develop QCALC1 to model point kinetics; study dynamic behavior of the power release.

Albright, Dennis↗

Mechanosensitive channels in bacteria as membrane tension reporters

The purpose of this short review is to discuss recent data on the molecular structure and mechanism of gating of MscL, a mechanosensitive channel of large conductance from Escherichia coli. MscL is the first isolated molecule shown to convert mechanical stress of the membrane into a simple response, the opening of a large aqueous pore. The functional complex appears to be a stable homo-pentamer of 15-kDa subunits, the gating transitions in which are driven by stretch forces conveyed through the lipid bilayer. We have measured the open probability of MscL and the kinetics of transitions as a function of membrane tension. The parameters extracted from the single-channel current recordings and dose-response curves such as the energy difference between the closed, open, and intermediate conducting states, and the transition-related changes in protein dimensions suggest a large conformational rearrangement of the channel complex. The estimations show that in native conditions MscL openings could be driven primarily by forces of osmotic nature. The thermodynamic and spatial parameters reasonably correlate with the available data on the structure of a single MscL subunit and multimeric organization of the complex. Combined with the functional analysis of mutations, these data give grounds to hypotheses on the nature of the channel mechanosensitivity.

Review↗

Growth of Bio Sensor Materials by Physical Vapor Transport Method

Recently there is a big thrust on bio-inspired sensors and there has been a large rise in the investment and expectations for nanotechnology to meet these goals. For in situ sensor development materials deposition on substrate is essential part of device development. Physical vapor deposition (PVD), chemical vapor deposition (CVD) and molecular organic vapor deposition methods have developed for growth of semiconductor bulk and thin film growth with some modifications have been used for these materials. Oxides and other elements of the VI group such as sulfides and selenides are key components in the skins of many species. Growth of ordered structures containing these elements have been achieved by using PVD method. This paper describes effect of growth parameters during PVD growth on the quality of materials. Growth kinetics and mechanism will be discussed for the vertical and horizontal growth reactors. Since most of the efficient materials systems are multinary and in many cases non-congruent, PVD provides a pathway to grow materials below melting temperature.

Sachs, David↗

Microstructure-sensitive Crystal Viscoelasticity for Ni-base Superalloys Targeting Long-term Creep-Fatigue Interaction Modeling

The aim of this project is to develop a microstructure-sensitive crystal viscoplasticity (CVP) model for single-crystal Ni-base superalloys to model the behavior of the material and components in the hot gas path sections of industrial gas turbines (IGT). Microstructure degradation associated with aging critical to predicting long-term creep-fatigue interactions will be embedded into the model through the γ' precipitate morphology evolution by coupling the coarsening drivers and kinetics into the constitutive equations of the CVP model. Model parameters will be determined using new experimental protocols that involve systematically artificially aging the alloy under different stress conditions to determine the relationship between the size and morphology g' precipitates on the creep and thermomechanical fatigue response.

Neu, Richard W↗

Microstructure-sensitive Crystal Viscoplasticity for Ni-base Superalloys Targeting Long-term Creep-Fatigue Interaction Modeling

The aim of this project is to develop a microstructure-sensitive crystal viscoplasticity (CVP) model for single-crystal Ni-base superalloys to model the behavior of the material and components in the hot gas path sections of industrial gas turbines (IGT). Microstructure degradation associated with aging critical to predicting long-term creep-fatigue interactions will be embedded into the model through the γ' precipitate morphology evolution by coupling the coarsening drivers and kinetics into the constitutive equations of the CVP model. Model parameters will be determined using new experimental protocols that involve systematically artificially aging the alloy under different stress conditions to determine the relationship between the size and morphology g' precipitates on the creep and thermomechanical fatigue response.

Neu, Richard W.↗

Effect of fulvic acid surface coatings on plutonium sorption and desorption kinetics on goethite

The rates and extent of plutonium (Pu) sorption and desorption onto mineral surfaces are important parameters for predicting Pu mobility in subsurface environments. The presence of natural organic matter, such as fulvic acid (FA), may influence these parameters. We investigated the effects of FA on Pu(IV) sorption/desorption onto goethite in two scenarios: when FA was (1) initially present in solution or (2) found as organic coatings on the mineral surface. A low pH was used to maximize FA coatings on goethite. Experiments were combined with kinetic modeling and speciation calculations to interpret variations in Pu sorption rates in the presence of FA. Our results indicate that FA can change the rates and extent of Pu sorption onto goethite at pH 4. Differences in the kinetics of Pu sorption were observed as a function of the concentration and initial form of FA. The fraction of desorbed Pu decreased in the presence of FA, indicating that organic matter can stabilize sorbed Pu on goethite. These results suggest that ternary Pu–FA–mineral complexes could enhance colloid-facilitated Pu transport. In conclusion, more representative natural conditions need to be investigated to quantify the relevance of these findings.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Analysis of Size Effects during Martensitic Transitions in Epitaxial Films and Microparticles of the Ni–Mn–Sn Alloy

Abstract—: The available literature data on the effect of the thickness of the epitaxial films and size of the crystallites in the microparticles of the Ni–Mn–Sn alloy powder on the parameters of the martensitic transitions in this alloy have been analyzed in the framework of the theory of defuse martensitic transitions (DMT), which is based on thermodynamic and kinetic ratios. The purpose of the analysis is to establish an explicit (functional) dependence of these parameters on the film thickness D and the size of nanocrystallites d in the film and microparticles. The results of the R-diffraction analysis show that internal elastic microdeformations and stresses arise in films and microparticles of the alloy powder due to the coherent coupling of the epitaxial film with a solid substrate or as a result of severe plastic deformation of the alloy during its grinding in a ball mill. The analysis shows that the local microstresses significantly affect the type of the dependence of the temperature interval (diffusity) ΔT of the transition on the size factors D or d. In the absence of microstresses, these dependences have the form ΔT ∼ 1/D{sup 2} or ΔT ∼ 1/d{sup 2}. In the presence of microstresses, the temperature transition interval depends on the size factors as ΔT ∼ 1/D or ΔT ∼ 1/d.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Customizable Aperture Geometry in Metal–Organic Frameworks for Kinetic Hydrocarbon Separation

Precise control of aperture dimensions is crucial in adsorptive separations of hydrocarbons, as it directly affects key parameters such as selectivity, capacity, diffusion, and recyclability. The development of metal–organic frameworks (MOFs) has enabled the fine-tuning of local pore environments to address important hydrocarbon separations. However, customizing the aperture geometry to tune the kinetic separation performance remains challenging. Here, we deploy a mixed-linker synthesis strategy, combining long and short linkers on fcu net Zr-MOFs with equilateral triangular apertures to construct isoreticular multivariate MOFs, NU-415 and NU-416, with tailored isosceles triangular apertures suitable for the separation of hexane isomers. Sorption, liquid batch separation, and X-ray diffraction measurements demonstrate significantly improved selectivity, capacity, stability, and recyclability of NU-415 and NU-416 compared with Zr-muconate and MOF-801. Notably, both NU-415 and NU-416 achieve uptake capacities of 2.2 mmol g –1 in 1 min with an n-hexane to 2,2-dimethylbutane selectivity over 200 in an equimolar ternary mixture at ambient conditions, comparable to leading reported materials. Mechanistic studies confirm that separation performance is predominantly governed by significant kinetic differences rather than by thermodynamics. Furthermore, the successful customization of aperture geometry not only enables superior linear to monobranched hexane selectivity in NU-415 but also demonstrates the mixed-linker synthesis strategy as a promising solution for precise and predictable pore architecture control in MOFs.

Adsorption↗

Influence of porous aluminosilicate grain size materials in experimental and modelling Cs + adsorption kinetics and wastewater column process

This paper focuses on the influence of the grain size of a geopolymer based adsorbent on its Cs + adsorption performances both in batch and fixed-bed process. The geopolymer phase was used as a binder to support NaY zeolite particle in a 20 wt% charged porous composite with 160 m 2 .g –1 of porous surface area. These samples were shaped with three grain sizes (50 /100/500 µm) to remove 80–90 mg/g of Cs + in batch and column operations. After their microstructural and porous characterizations, their efficiency and adsorption characteristics were investigated through adsorption isotherms and kinetic in the two processes. While the grain size has no influence on the maximal extraction capacity of the adsorbent, it strongly affects the sorption kinetic. By coupling experimental data and a modelling approach, the complex sorption mechanism was highlighted, suggesting a new insight of the contaminant sorption kinetic. Then, comparison of batch and column adsorption experiments illustrates the detailed explanation of various process parameters for column study. The results show challenges for fixed-bed column utilization by the choice of the appropriate grain size as a compromise between the material sorption kinetic and hydrodynamic considerations. Furthermore, this is of high importance to more accurately optimize the design of column adsorption to assess the transport of Cs+ in multi-porous tailored grain size materials.

36 MATERIALS SCIENCE↗

The stability of thick, self-gravitating disks in protostellar systems

Using numerical hydrodynamics techniques, we perform a nonlinear stability analysis of accretion disk systems that contain thick, self-gravitating disks. The systems are initially represented by a point mass M(sub c) at the center and a geometrically thick, axisymmetric disk of mass M(sub d) that supports uniform specific angular momentum and obeys an n = 3/2, polytropic equation of state. The equilibrium disk structure is uniquely defined upon the specification of two key dimensionless system parameters: M(sub d)/M(sub c) and T/absolute value of W (the ratio of rotational kinetic energy if the disk to the gravitational potential energy of the system). The focus of this work is on the identification of systems within this two-dimensional parameter space that are marginally unstable toward the development of nonaxisymmetric distortions. The geometric form and relative pattern speed of the disk's distortion as well as the likelihood of disk fragmentation as a result of such instabilities is examined, particularly in the context of protostellar systems. The value of T/absolute value of W at which thick disks first become dynamically unstable to nonaxisymmetric distortions is found to vary significantly with the mass ratio of the accertion disk system. Nonaxisymmetric eigenmodes with four distinctly different characters are identified in systems with mass ratios in the range 0.2 less than or equal to (M(sub d)/M(sub c)) less than or equal to 5.

Woodward, John W.↗

Modeling plasma-assisted growth of graphene-carbon nanotube hybrid

A theoretical model describing the growth of graphene-CNT hybrid in a plasma medium is presented. Using the model, the growth of carbon nanotube (CNT) on a catalyst particle and thereafter the growth of the graphene on the CNT is studied under the purview of plasma sheath and number density kinetics of different plasma species. It is found that the plasma parameter such as ion density; gas ratios and process parameter such as source power affect the CNT and graphene dimensions. The variation in growth rates of graphene and CNT under different plasma power, gas ratios, and ion densities is analyzed. Based on the results obtained, it can be concluded that higher hydrocarbon ion densities and gas ratios of hydrocarbon to hydrogen favor the growth of taller CNTs and graphene, respectively. In addition, the CNT tip radius reduces with hydrogen ion density and higher plasma power favors graphene with lesser thickness. The present study can help in better understanding of the graphene-CNT hybrid growth in a plasma medium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Adsorption of terbium (III) on DGA and LN resins: Thermodynamics, isotherms, and kinetics

Two commercially available extraction chromatography (EXC) resins containing N,N,N’,N’-tetra-n-octyldiglycolamide (DGA Resin, Normal, 50 – 100 μm) and Bis(2-ethylhexyl) phosphate (LN Resin, 100 – 150 μm) were used as adsorbents to study fundamental adsorption properties such as thermodynamic values, equilibrium isotherms, and kinetic uptake models for terbium(III) adsorption. Weight distribution ratios (D w ) for terbium on DGA and LN resins were measured using a [ 160 Tb]Tb 3+ radiometric tracer in nitric acid as a function of acidity, temperature, initial analyte concentration, and equilibrium time. The D w values showed increasing binding affinity for DGA resin at high nitric acid concentrations and decreasing binding affinity for LN resins. Thermodynamic studies for DGA and LN resins revealed that the Gibbs free energy (ΔG) increased consistently with temperature. To model equilibrium data, increasingly higher parameter equilibrium isotherm models (Henry (1) < Langmuir, Freundlich (2) < Redlich-Peterson (3) < Fritz-Schluender (4)) were compared on their root mean squared errors (RMSE) and adjusted determination coefficients to determine the most applicable model. In all cases, the empirical four-parameter Fritz-Schluender isotherm demonstrated a superior fit. Similar comparisons for reaction-based kinetic models (Pseudo-first-order < Pseudo-second-order < Pseudo-n-order) revealed that the higher-order PNO model yielded a superior fit of kinetic data for both resins. Furthermore, in some cases, adsorption isotherms and kinetic models could also be modeled by a lower-order model with minimal change in error parameters. Weber-Morris plots revealed that two linear sections are observed for each resin, where the first linear segment is attributed to fast (film diffusion) adsorption of terbium, followed by slower intraparticle diffusion of terbium through the pores as the rate-limiting step. Based on the Weber-Morris plot, both film and intraparticle diffusion are involved in controlling the kinetic rate of adsorption for DGA and LN resins.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Force fields for monovalent and divalent metal cations in TIP3P water based on thermodynamic and kinetic properties

Metal cations are essential in many vital processes. In order to capture the role of different cations in all-atom molecular dynamics simulations of biological processes, an accurate parametrization is crucial. Here, we develop force field parameters for the metal cations Li + , Na + , K + , Cs + , Mg 2+ , Ca 2+ , Sr 2+ , and Ba 2+ in combination with the TIP3P water model that is frequently used in biomolecular simulations. In progressing toward improved force fields, the approach presented here is an extension of previous efforts and allows us to simultaneously reproduce thermodynamic and kinetic properties of aqueous solutions. We systematically derive the parameters of the 12-6 Lennard-Jones potential which accurately reproduces the experimental solvation free energy, the activity derivative, and the characteristics of water exchange from the first hydration shell of the metal cations. In order to reproduce all experimental properties, a modification of the Lorentz-Berthelot combination rule is required for Mg 2+ . As a result, using a balanced set of solution properties, the optimized force field parameters aim to capture the fine differences between distinct metal cations including specific ion binding affinities and the kinetics of cation binding to biologically important anionic groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluated 238 U(n,f) Average Prompt Fission Neutron Multiplicities Including the CGMF Model

This report documents an evaluation of the average prompt fission neutron multiplicity, $\overline{v}_p$, of 238 U from 800 keV to MeV. This evaluation had to be re-done from “scratch” as the input to previous $\overline{v}_p$ evaluations, specifically ENDF/B-VIII.0, was not found. That means that all available experimental data were re-analyzed and uncertainties were re-estimated. The new evaluated 238 U $\overline{v}_p$ based on only experimental data differs distinctly from ENDF/B-VIII.0 $\overline{v}_p$ from 2 to 4.5 MeV, and from 6 to 7 MeV, and is otherwise similar. The difference from 2 to 4.5 MeV stems from the fact that ENDF/B-VIII.0 was tweaked in this energy range to data of Frehaut, while two other, equally trustworthy, data sets would indicate an evaluated 238 U $\overline{v}_p$ that is up to 2% higher. Also, second chance fission in ENDF/B-VIII.0 was smoothed over from 6–7 MeV. Another major difference to ENDF/B-VIII.0 is that one of the evaluations presented here includes model information from the Hauser-Feshbach fission fragment decay code CGMF, while ENDF/B-VIII.0 is based purely on experimental data. CGMF links several fission quantities with each other; $\overline{v}_p$ is predicted by assumptions made on, e.g., pre-neutron emission yields as a function of mass, the total kinetic energy, or spin and parity of fission fragments. This allows to validate the new 238 U $\overline{v}_p$ by using CGMF parameters obtained from fitting to experimental 238 U $\overline{v}_p$ to predict yields as a function of mass, the average total kinetic energy, or the mean energy of the prompt fission neutron spectrum. These model-predicted values can then be compared to experimental and evaluated data. The model-predicted fission-observable values using evaluated parameters obtained here are reasonably close to experimental data for some observables, but are farther away from experimental data related to TKE observables. In addition to that, the evaluated 238 U(n,f) $\overline{v}_p$ shows similar deviations from ENDF/B-VIII.0 as for the evaluation with only experimental data. This difference is expected to lead to changes in simulated effective neutron multiplication factor, $k_{eff}$ of ICSBEP critical assemblies that are sensitive to 238 U in the fast range (BigTen, Flattop, Flattop-Pu). These changes in $k_{eff}$ need to be counter-balanced. Chi-Nu PFNS experimental data are expected to be released in the next few months that might lead to the needed changes in the PFNS. Until then, we hold off in benchmarking the new 238 U(n,f) $\overline{v}_p$ as well as submitting it to ENDF/B-VIII.1. Also, new high-precision 238 U $\overline{v}_p$ are expected to be measured by the CEA in the next two years that will shed further light on question on 238 U $\overline{v}_p$ from 2–4.5 and 6–7 MeV.

238U↗