scholarly journals The Effect of Strain on Intra- and Interlayer Mass Transport in Metal Epitaxy

1995 ◽  
Vol 399 ◽  
Author(s):  
H. Brune ◽  
K. Bromann ◽  
K. Kern
Keyword(s):  
Mass Transport ◽  
Variable Temperature ◽  
Compressive Strain ◽  
Mean Field ◽  
General Concept ◽  
Considerable Effect ◽  
Nucleation Theory ◽  
Nucleation Kinetics ◽  
Self Diffusion ◽  
Additional Barrier

ABSTRACTA general concept is shown how to measure both the barriers for terrace and step-down diffusion for an epitaxial system. It is based on the application of mean-field nucleation theory to variable temperature STM data. With this approach we studied the influence of strain on intra- and interlayer diffusion for Ag self diffusion on strained and unstrained Ag(111) surfaces. The strained surface was the first Ag layer that grows pseudomorphically on Pt(111) and is thus under 4.2% compressive strain. The barrier for terrace diffusion is observed to be substantially lower on the strained, compared to the unstrained Ag/Ag(111) case, 60±10 meV and 97±10 meV, respectively. The additional barrier for interlayer diffusion decreases from 120±15 meV for Ag(111) homoepitaxy to only 30±5 meV for diffusion from the strained Ag layer down to the Pt(111) substrate. These examples illustrate the considerable effect of strain on the intra- and interlayer mass transport. They require a new concept of layer dependent nucleation kinetics for heteroepitaxial systems in general.

scholarly journals Nucleation Behavior of a Single Al-20Si Particle Rapidly Solidified in a Fast Scanning Calorimeter

Materials ◽  
2021 ◽  
Vol 14 (11) ◽  
pp. 2920
Author(s):  
Qin Peng ◽  
Bin Yang ◽  
Benjamin Milkereit ◽  
Dongmei Liu ◽  
Armin Springer ◽  
...  
Keyword(s):  
Cooling Rate ◽  
Rapid Solidification ◽  
Heterogeneous Nucleation ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Solidification Behavior ◽  
Nucleation Kinetics ◽  
Nucleation Behavior ◽  
Nucleation Undercooling ◽  
Primary Si

Understanding the rapid solidification behavior characteristics, nucleation undercooling, and nucleation mechanism is important for modifying the microstructures and properties of metal alloys. In order to investigate the rapid solidification behavior in-situ, accurate measurements of nucleation undercooling and cooling rate are required in most rapid solidification processes, e.g., in additive manufacturing (AM). In this study, differential fast scanning calorimetry (DFSC) was applied to investigate the nucleation kinetics in a single micro-sized Al-20Si (mass%) particle under a controlled cooling rate of 5000 K/s. The nucleation rates of primary Si and secondary α-Al phases were calculated by a statistical analysis of 300 identical melting/solidification experiments. Applying a model based on the classical nucleation theory (CNT) together with available thermodynamic data, two different heterogeneous nucleation mechanisms of primary Si and secondary α-Al were proposed, i.e., surface heterogeneous nucleation for primary Si and interface heterogenous nucleation for secondary α-Al. The present study introduces a practical method for a detailed investigation of rapid solidification behavior of metal particles to distinguish surface and interface nucleation.

Spatial Correlations in Growing Films

2000 ◽  
Vol 619 ◽  
Author(s):  
M.C. Bartelt
Keyword(s):  
Size Distribution ◽  
Lattice Gas ◽  
Mean Field ◽  
Film Deposition ◽  
Nucleation Theory ◽  
Spatial Correlations ◽  
Island Size ◽  
Pit Formation ◽  
Free Region ◽  
Lattice Gas Models

ABSTRACTDetailed analyses of non-equilibrium lattice-gas models of island nucleation and growth during film deposition (or etching) have been invaluable in elucidating basic issues in nucleation theory, deviations from mean-field predictions, and experimental observations. Particularly interesting and useful is the behavior of spatial correlations in the adlayer which develop during island (or pit) formation. In particular, a strong depletion in the population of island pairs at separations smaller than the average follows from depletion in the density of diffusing adspecies near islands. This feature delays percolation of clusters of coalesced islands. Another recently discovered and more subtle feature is a strong correlation between the width of the island-free region surrounding an island and the size and growth rate of that island. This direct correlation between island sizes and separations controls the shape of the island size distribution. If incorporated into rate-equation descriptions, it recovers the exact form of the scaling function for the island size distribution.

scholarly journals Analysis of isothermal and cooling rate dependent immersion freezing by a unifying stochastic ice nucleation model

2015 ◽  
Vol 15 (9) ◽  
pp. 13109-13166
Author(s):  
P. A. Alpert ◽  
D. A. Knopf
Keyword(s):  
Cooling Rate ◽  
Surface Area ◽  
Ice Nucleation ◽  
Rate Dependence ◽  
Nucleation Theory ◽  
Freezing Process ◽  
Nucleation Kinetics ◽  
Rate Dependent ◽  
Immersion Freezing ◽  
The Impact

Abstract. Immersion freezing is an important ice nucleation pathway involved in the formation of cirrus and mixed-phase clouds. Laboratory immersion freezing experiments are necessary to determine the range in temperature (T) and relative humidity (RH) at which ice nucleation occurs and to quantify the associated nucleation kinetics. Typically, isothermal (applying a constant temperature) and cooling rate dependent immersion freezing experiments are conducted. In these experiments it is usually assumed that the droplets containing ice nuclei (IN) all have the same IN surface area (ISA), however the validity of this assumption or the impact it may have on analysis and interpretation of the experimental data is rarely questioned. A stochastic immersion freezing model based on first principles of statistics is presented, which accounts for variable ISA per droplet and uses physically observable parameters including the total number of droplets (Ntot) and the heterogeneous ice nucleation rate coefficient, Jhet(T). This model is applied to address if (i) a time and ISA dependent stochastic immersion freezing process can explain laboratory immersion freezing data for different experimental methods and (ii) the assumption that all droplets contain identical ISA is a valid conjecture with subsequent consequences for analysis and interpretation of immersion freezing. The simple stochastic model can reproduce the observed time and surface area dependence in immersion freezing experiments for a variety of methods such as: droplets on a cold-stage exposed to air or surrounded by an oil matrix, wind and acoustically levitated droplets, droplets in a continuous flow diffusion chamber (CFDC), the Leipzig aerosol cloud interaction simulator (LACIS), and the aerosol interaction and dynamics in the atmosphere (AIDA) cloud chamber. Observed time dependent isothermal frozen fractions exhibiting non-exponential behavior with time can be readily explained by this model considering varying ISA. An apparent cooling rate dependence ofJhet is explained by assuming identical ISA in each droplet. When accounting for ISA variability, the cooling rate dependence of ice nucleation kinetics vanishes as expected from classical nucleation theory. The model simulations allow for a quantitative experimental uncertainty analysis for parameters Ntot, T, RH, and the ISA variability. In an idealized cloud parcel model applying variability in ISAs for each droplet, the model predicts enhanced immersion freezing temperatures and greater ice crystal production compared to a case when ISAs are uniform in each droplet. The implications of our results for experimental analysis and interpretation of the immersion freezing process are discussed.

Nucleation and Glass Formation

1985 ◽  
Vol 57 ◽  
Author(s):  
D. R. Uhlmann ◽  
M. C. Weinberg
Keyword(s):  
Glass Formation ◽  
Nucleation Theory ◽  
Crystal Nucleation ◽  
Oxide Glass ◽  
Classical Nucleation Theory ◽  
Nucleation Kinetics ◽  
Formation Behavior ◽  
Homogeneous Crystal ◽  
Exponential Factors

AbstractThe role of nucleation kinetics in affecting glass formation behavior is discussed. Also considered are measurements of homogeneous crystal nucleation in a variety of liquids. For a number of oxide glass-forming liquids, available data indicate pre-exponential factors which are larger than those predicted from classical nucleation theory by factors of 1017 to 1049. Possible sources of this discrepancy are discussed.

The Effects of Si on the Nucleation Kinetics of Ferrite in Dual Phase Steels

2007 ◽  
Vol 26-28 ◽  
pp. 1307-1310 ◽  
Author(s):  
Sang Hwan Lee ◽  
Kyung Jong Lee
Keyword(s):  
Free Energy ◽  
Interfacial Energy ◽  
Free Energy Change ◽  
Nucleation Theory ◽  
Energy Change ◽  
Classical Nucleation Theory ◽  
Nucleation Kinetics ◽  
Kinetics Of ◽  
Volume Free Energy Change ◽  
Thermodynamic Factors

It is generally accepted that Si promotes kinetics of polygonal ferrite due to thermodynamic factors such as Ae3 and maximum amount of ferrite formed. However, in this study, it was found that the difference between the measured rates of ferrite formation in C-Mn steel and Si added steel was much larger than that expected considering only thermodynamic factors. The classical nucleation theory with pillbox model was adopted to figure out what is the most controlling factor in formation of ferrite. The volume free energy change was calculated by use of the dilute solution model. The diffusivity of carbon (DC) was formulated as functions of C, Mn and Si by using experimental data. It was found that the volume free energy change was still predominant but the kinetic factors such as interfacial energy and the diffusivity of carbon by addition of Si were not negligible at lower undercooling. However, with increasing undercooling, the diffusivity of C was the most effective on the ferrite kinetics, though the ambiguity of treating interfacial energy was not yet clear.

A simple model of burst nucleation

2015 ◽  
Vol 17 (32) ◽  
pp. 20846-20852 ◽  
Author(s):  
Alexandr Baronov ◽  
Kevin Bufkin ◽  
Dan W. Shaw ◽  
Brad L. Johnson ◽  
David L. Patrick
Keyword(s):  
Simple Model ◽  
Induction Period ◽  
Rate Equation ◽  
Self Assembly ◽  
Mean Field ◽  
Equation Model ◽  
Nucleation Theory ◽  
Classical Nucleation Theory ◽  
Rate Equation Model ◽  
Quantitative Treatment

We introduce a comprehensive quantitative treatment for burst nucleation (BN), a kinetic pathway toward self-assembly or crystallization defined by an extended post-supersaturation induction period, followed by a burst of nucleation, and finally the growth of existing stable assemblages absent the formation of new ones, based on a hybrid mean field rate equation model incorporating thermodynamic treatment of the saturated solvent from classical nucleation theory.

A study to investigate phase transitions and nucleation kinetics of nickel and copper

2016 ◽  
Vol 30 (11) ◽  
pp. 1650129 ◽  
Author(s):  
F. A. Celik ◽  
A. K. Yildiz
Keyword(s):  
Molecular Dynamics ◽  
Orientational Order ◽  
Nucleation Theory ◽  
Dynamics Simulation ◽  
Classical Nucleation Theory ◽  
Structural Development ◽  
Nucleation Kinetics ◽  
Embedded Atom ◽  
Bond Orientational Order ◽  
Kinetics Of

In this study, we investigate the homogeneous nucleation kinetics of copper and nickel system during cooling process using molecular dynamics simulation (MDS). The calculation is carried out for a different number of atoms consisting of 500, 2048, 8788 and 13,500 based on embedded atom method (EAM). It is observed that the melting points for the both model increases with increasing the size of systems (i.e. the number of atoms) as expected from Parrinello and Rahman MD method. The interfacial free energies and critical nucleus radius of nickel and copper are also determined by molecular dynamics, and the results are consistent with the classical nucleation theory. The structural development and phase transformation are also determined from the radial distribution function (RDF) and local bond orientational order parameters (LBOO).

Energetic materials: variable-temperature crystal structures of γ- and ∊-HNIW polymorphs

2004 ◽  
Vol 37 (5) ◽  
pp. 808-814 ◽  
Author(s):  
Nadezhda B. Bolotina ◽  
Michaele J. Hardie ◽  
Richard L. Speer Jr ◽  
A. Alan Pinkerton
Keyword(s):  
Thermal Expansion ◽  
Energetic Materials ◽  
Variable Temperature ◽  
Mean Field ◽  
Field Potential ◽  
Atomic Displacement ◽  
Linear Temperature Dependence ◽  
Linear Temperature ◽  
The Difference ◽  
Atomic Displacement Parameters

Crystals of γ- and ∊-hexanitrohexaazaisowurtzitane (γ- and ∊-HNIW, space groupP21/nfor both crystals) have been investigated in the 100–298 K temperature range using single-crystal X-ray diffraction techniques. Temperature-dependent changes of their crystal lattices have been evaluated from the second-rank thermal expansion tensors. Both lattices undergo anisotropic thermal expansion, that of γ-HNIW being more anisotropic than that of the ∊ phase. Comparison with previously reported predictions from molecular dynamics calculations indicates significant differences. Although there are many short (less than van der Waals) intermolecular interactions in both polymorphs, there is no obvious relationship between the short distances and the difference in thermal expansion behavior. Non-linear temperature dependence of the atomic displacement parameters is indicative of anharmonicity of the crystal mean field potential.

Sign in / Sign up

Export Citation Format

Share Document