Precipitation of Niobium Carbonitrides: Chemical Composition Measurements and Modeling

2007 ◽  
Vol 539-543 ◽  
pp. 4196-4201 ◽  
Author(s):  
Michel Perez ◽  
Eglantine Courtois ◽  
Daniel Acevedo Reyes ◽  
Thierry Epicier ◽  
Philippe Maugis
Keyword(s):  
Chemical Composition ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Model Alloy ◽  
Numerical Resolution ◽  
Pure Niobium ◽  
Transmission Electron ◽  
Niobium Nitrides ◽  
Electron Energy Loss ◽  
Good Agreement

High Resolution Transmission Electron Microscope and Electron Energy Loss Spectroscopy and have been used to characterize the structure and chemical composition of niobium carbonitrides in the ferrite of a Fe-Nb-C-N model alloy at different precipitation stages. Experiments seem to indicate the coexistence of two types of precipitates: pure niobium nitrides and mixed sub-stoichiometric niobium carbonitrides. In order to predict the chemical composition of these precipitates, a thermodynamical formalism has been developed to evaluate (i) the nucleation and growth rates (classical nucleation theory) and (ii) the chemical composition of nuclei and existing precipitates. A model based on the numerical resolution of former equations, is used to compute precipitates size distribution evolution at a given temperature. The predicted compositions are in very good agreement with experimental results.

scholarly journals Efficiency of immersion mode ice nucleation on surrogates of mineral dust

2007 ◽  
Vol 7 (19) ◽  
pp. 5081-5091 ◽  
Author(s):  
C. Marcolli ◽  
S. Gedamke ◽  
T. Peter ◽  
B. Zobrist
Keyword(s):  
Contact Angle ◽  
Active Sites ◽  
Quantitative Agreement ◽  
Ice Nucleation ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Aqueous Suspensions ◽  
Freezing Temperatures ◽  
Good Agreement ◽  
Heterogeneous Ice Nucleation

Abstract. A differential scanning calorimeter (DSC) was used to explore heterogeneous ice nucleation of emulsified aqueous suspensions of two Arizona test dust (ATD) samples with particle diameters of nominally 0–3 and 0–7 μm, respectively. Aqueous suspensions with ATD concentrations of 0.01–20 wt% have been investigated. The DSC thermograms exhibit a homogeneous and a heterogeneous freezing peak whose intensity ratios vary with the ATD concentration in the aqueous suspensions. Homogeneous freezing temperatures are in good agreement with recent measurements by other techniques. Depending on ATD concentration, heterogeneous ice nucleation occurred at temperatures as high as 256 K or down to the onset of homogeneous ice nucleation (237 K). For ATD-induced ice formation Classical Nucleation Theory (CNT) offers a suitable framework to parameterize nucleation rates as a function of temperature, experimentally determined ATD size, and emulsion droplet volume distributions. The latter two quantities serve to estimate the total heterogeneous surface area present in a droplet, whereas the suitability of an individual heterogeneous site to trigger nucleation is described by the compatibility function (or contact angle) in CNT. The intensity ratio of homogeneous to heterogeneous freezing peaks is in good agreement with the assumption that the ATD particles are randomly distributed amongst the emulsion droplets. The observed dependence of the heterogeneous freezing temperatures on ATD concentrations cannot be described by assuming a constant contact angle for all ATD particles, but requires the ice nucleation efficiency of ATD particles to be (log)normally distributed amongst the particles. Best quantitative agreement is reached when explicitly assuming that high-compatibility sites are rare and that therefore larger particles have on average more and better active sites than smaller ones. This analysis suggests that a particle has to have a diameter of at least 0.1 μm to exhibit on average one active site.

Analytical Investigation on the Homogeneous Nucleation in a Mono-Component and Bi-Component Droplet

2019 ◽  
Author(s):  
Xi Xi ◽  
Hong Liu ◽  
Chang Cai ◽  
Ming Jia ◽  
Weilong Zhang
Keyword(s):  
Nucleation Rate ◽  
Homogeneous Nucleation ◽  
Ambient Pressure ◽  
Analytical Investigation ◽  
Bubble Nucleation ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Liquid Temperature ◽  
Wide Range ◽  
Good Agreement

Abstract The work attempts to analyze the performance of homogeneous nucleation by using the non-equilibrium thermodynamics theory and the classical nucleation theory. A nucleation rate graph was constructed under a wide range of operating temperature conditions. The results indicate that the superheat limit temperature (SLT) estimated by the modified homogeneous nucleation sub-model is in good agreement with the experimental results. The nucleation rate increases exponentially with the liquid temperature rise when the liquid temperature exceeds the SLT under atmospheric pressure. The superheated temperature needed to trigger the bubble nucleation decreases with the elevated ambient pressure.

Study Of Nucleation And Growth Ev Al-Zn Alloys Using TEM

1993 ◽  
Vol 321 ◽  
Author(s):  
G. Sundar ◽  
E. A. Kenik ◽  
J. J. Hoyt ◽  
S. Spooner
Keyword(s):  
Completion Time ◽  
Nucleation And Growth ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Initial Value ◽  
Two Phase ◽  
Transmission Electron ◽  
Time Required ◽  
Zn Alloys

ABSTRACTNucleation and growth studies were conducted on Al-Zn alloys at several temperatures using transmission electron Microscopy (TEM) with an in-situ furnace. The value of the critical undercooling was established by noting the lowest temperature at which precipitates were no longer observed, following a quench into the two-phase metastable region. These results were compared with the Langer-Schwartz Model of nucleation and growth in which it is predicted that the half-completion time (i.e, the time required for the supersaturation to reach half its initial value) diverges for initial supersaturations which are higher than those predicted by the classical nucleation theory.

scholarly journals APPROACHES FOR A RELIABLE COMPOSITIONAL ANALYSIS OF ALKALINE-BASED LEAD-FREE PEROVSKITE CERAMICS USING MICROANALYTICAL METHODS

2011 ◽  
Vol 01 (01) ◽  
pp. 41-52 ◽  
Author(s):  
ANDREJA BENČAN ◽  
ELENA TCHERNYCHOVA ◽  
SAŠO ŠTURM ◽  
ZORAN SAMARDŽIJA ◽  
BARBARA MALIČ ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Compositional Analysis ◽  
Analytical Techniques ◽  
Lead Free ◽  
X Ray ◽  
Transmission Electron ◽  
Perovskite Ceramics ◽  
Precursor Powders ◽  
Electron Energy Loss ◽  
Insight Into

The article describes the approaches for a reliable, quantitative compositional analysis of lead-free perovskite ceramics in powder and bulk forms that contain volatile alkaline compounds. The combination of scanning electron microscopy (SEM) and transmission electron microcopy (TEM) with electron-probe analytical techniques, such as energy-dispersive X-ray spectroscopy (EDS), wavelength-dispersive X-ray spectroscopy (WDS) and electron-energy-loss spectroscopy (EELS) makes it possible to determine the true chemical composition, from precursor powders to synthesized ceramics or single crystals. The microscale (SEM) and nanoscale (TEM) analytical methods also give an insight into the local variations of the chemical composition.

Investigations on electronic structure of YMnO3 by electron energy loss spectra and first-principle calculations

2019 ◽  
Vol 34 (4) ◽  
pp. 339-344
Author(s):  
S. Wang ◽  
J. Cai ◽  
H. D. Xu ◽  
H. L. Tao ◽  
Y. Cui ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Energy Loss ◽  
Experimental Spectrum ◽  
X Ray Diffraction ◽  
Edge Structure ◽  
Transmission Electron ◽  
The Individual ◽  
Electron Energy Loss ◽  
Electron Energy Loss Spectra ◽  
Good Agreement

Crystal structure and electronic structure of YMnO3 were investigated by X-ray diffraction and transmission electron microscopy related techniques. According to the density of states (DOS), the individual interband transitions to energy loss peaks in the low energy loss spectrum were assigned. The hybridization of O 2p with Mn 3d and Y 4d analyzed by the partial DOS was critical to the ferroelectric nature of YMnO3. From the simulation of the energy loss near-edge structure, the fine structure of O K-edge was in good agreement with the experimental spectrum. The valence state of Mn (+3) in YMnO3 was determined by a comparison between experiment and calculations.

scholarly journals Molecular dynamics simulations of liquid silica crystallization

2018 ◽  
Vol 115 (21) ◽  
pp. 5348-5352 ◽  
Author(s):  
Haiyang Niu ◽  
Pablo M. Piaggi ◽  
Michele Invernizzi ◽  
Michele Parrinello
Keyword(s):  
Free Energy ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Free Energy Surface ◽  
X Ray Diffraction ◽  
Collective Variables ◽  
Atomic Simulations ◽  
The Difference ◽  
Dynamics Simulations ◽  
Good Agreement

Silica is one of the most abundant minerals on Earth and is widely used in many fields. Investigating the crystallization of liquid silica by atomic simulations is of great importance to understand the crystallization mechanism; however, the high crystallization barrier and the tendency of silica to form glasses make such simulations very challenging. Here we have studied liquid silica crystallization to β-cristobalite with metadynamics, using X-ray diffraction (XRD) peak intensities as collective variables. The frequent transitions between solid and liquid of the biased runs demonstrate the highly successful use of the XRD peak intensities as collective variables, which leads to the convergence of the free-energy surface. By calculating the difference in free energy, we have estimated the melting temperature of β-cristobalite, which is in good agreement with the literature. The nucleation mechanism during the crystallization of liquid silica can be described by classical nucleation theory.

TEM Investigation of Nanophase Aluminum Powder

2005 ◽  
Vol 11 (5) ◽  
pp. 410-420 ◽  
Author(s):  
Valéry Y. Gertsman ◽  
Queenie S.M. Kwok
Keyword(s):  
Aluminum Powder ◽  
Dark Field ◽  
Dark Field Imaging ◽  
Transmission Electron ◽  
Scanning Transmission ◽  
Partial Crystallinity ◽  
Large Clusters ◽  
Electron Energy Loss ◽  
Field Imaging ◽  
Good Agreement

Nanophase aluminum powder was characterized in a field-emission-gun transmission electron microscope (TEM). Different techniques were used to investigate the structure of the particles, including conventional bright-field and dark-field imaging, scanning transmission electron microscopy (STEM), high-resolution lattice imaging, diffraction studies, energy dispersive X-ray spectroscopy (EDS) analysis and mapping, and electron energy loss spectroscopy (EELS) analysis and mapping. It has been established that the particle cores consist of aluminum single crystals that sometimes contain crystal lattice defects. The core is covered by a passivating layer of aluminum oxide a few nanometers thick. The alumina is mostly amorphous, but evidences of partial crystallinity of the oxide were also found. The thickness of this layer was measured using different techniques, and the results are in good agreement with each other. The particles are agglomerated in two distinct ways. Some particles were apparently bonded together during processing before oxidation. These mostly form dumbbells covered by a joint oxide layer. Also, oxidized particles are loosely assembled into relatively large clusters.

scholarly journals Efficiency of immersion mode ice nucleation on surrogates of mineral dust

2007 ◽  
Vol 7 (4) ◽  
pp. 9687-9716
Author(s):  
C. Marcolli ◽  
S. Gedamke ◽  
T. Peter ◽  
B. Zobrist
Keyword(s):  
Contact Angle ◽  
Active Sites ◽  
Quantitative Agreement ◽  
Ice Nucleation ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Aqueous Suspensions ◽  
Freezing Temperatures ◽  
Good Agreement ◽  
Heterogeneous Ice Nucleation

Abstract. A differential scanning calorimeter (DSC) was used to explore heterogeneous ice nucleation of emulsified aqueous suspensions of two Arizona test dust (ATD) samples with particle diameters of nominally 0–3 and 0–7 μm, respectively. Aqueous suspensions with ATD concentrations of 0.01–20 wt% have been investigated. The DSC thermograms exhibit a homogeneous and a heterogeneous freezing peak whose intensity ratios vary with the ATD concentration in the aqueous suspensions. Homogeneous freezing temperatures are in good agreement with recent measurements by other techniques. Depending on ATD concentration, heterogeneous ice nucleation occurred at temperatures as high as 256 K or down to the onset of homogeneous ice nucleation (237 K). For ATD-induced ice formation Classical Nucleation Theory (CNT) offers a suitable framework to parameterize nucleation rates as a function of temperature, experimentally determined ATD size, and emulsion droplet volume distributions. The latter two quantities serve to estimate the total heterogeneous surface area present in a droplet, whereas the suitability of an individual heterogeneous site to trigger nucleation is described by the compatibility function (or contact angle) in heterogeneous CNT. The intensity ratio of homogeneous to heterogeneous freezing peaks is in good agreement with the assumption that the ATD particles are randomly distributed amongst the emulsion droplets. The observed dependence of the heterogeneous freezing temperatures on ATD concentrations cannot be described by assuming a constant contact angle for all ATD particles, but requires the ice nucleation efficiency of ATD particles to be (log)normally distributed amongst the particles. Best quantitative agreement is reached when explicitly assuming that high-compatibility sites are rare and that therefore larger particles have on average more and better active sites than smaller ones. This analysis suggests that a particle has to have a diameter of at least 0.1 μm to exhibit on average one active site.

scholarly journals Homogeneous nucleation rates of nitric acid dihydrate (NAD) at simulated stratospheric conditions – Part II: Modelling

2006 ◽  
Vol 6 (10) ◽  
pp. 3035-3047 ◽  
Author(s):  
O. Möhler ◽  
H. Bunz ◽  
O. Stetzer
Keyword(s):  
Nitric Acid ◽  
Process Model ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Diffusion Activation Energy ◽  
Interface Tension ◽  
Experimental Conditions ◽  
Microphysical Process ◽  
Aerosol Chamber ◽  
Good Agreement

Abstract. Activation energies ΔGact for the nucleation of nitric acid dihydrate (NAD) in supercooled binary HNO3/H2O solution droplets were calculated from volume-based nucleation rate measurements using the AIDA (Aerosol, Interactions, and Dynamics in the Atmosphere) aerosol chamber of Forschungszentrum Karlsruhe. The experimental conditions covered temperatures T between 192 and 197 K, NAD saturation ratios SNAD between 7 and 10, and nitric acid molar fractions of the nucleating sub-micron sized droplets between 0.26 and 0.28. Based on classical nucleation theory, a new parameterisation for ΔGact=A×(T ln SNAD)−2+B is fitted to the experimental data with A=2.5×106 kcal K2 mol−1 and B=11.2−0.1(T−192) kcal mol−1. A and B were chosen to also achieve good agreement with literature data of ΔGact. The parameter A implies, for the temperature and composition range of our analysis, a mean interface tension σsl=51 cal mol−1 cm−2 between the growing NAD germ and the supercooled solution. A slight temperature dependence of the diffusion activation energy is represented by the parameter B. Investigations with a detailed microphysical process model showed that literature formulations of volume-based (Salcedo et al., 2001) and surface-based (Tabazadeh et al., 2002) nucleation rates significantly overestimate NAD formation rates when applied to the conditions of our experiments.

Structural and Chemical Characterization of Al(Ga)N/GaN Quantum Well Structures Grown by Plasma Assisted Molecular Beam Epitaxy

2012 ◽  
Vol 186 ◽  
pp. 70-73 ◽  
Author(s):  
Jolanta Borysiuk ◽  
Piotr Dłużewski ◽  
Zbigniew Zytkiewicz ◽  
Marta Sobańska ◽  
Kamil Kłosek ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Molecular Beam Epitaxy ◽  
Scanning Transmission Electron Microscopy ◽  
Molecular Beam ◽  
Chemical Characterization ◽  
Quantum Well Structures ◽  
Transmission Electron ◽  
Scanning Transmission ◽  
Electron Energy Loss

Growth of high quality GaN/AlN heterostructures by plasma assisted molecular beam epitaxy (PAMBE) is possible with excess of Ga on the surface. During growth of AlN this additional Ga acts as surfactant and improves mobility of the Al adatoms on the growing surface, at the possible cost of Ga segregation and creation of mixed AlGaN interlayer. Scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS) were used to determine chemical composition of high crystallographic quality GaN-AlN multilayer structure. It was shown that segregation occurs at AlN-GaN heterointerfaces, while GaN-AlN interfaces have abrupt stepwise change of the chemical composition. HRTEM results show creation of trench defects at the periphery of growing AlN islands in the case of nonoptimized growth.

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