300 research outputs found
Modeling Reactive Wetting when Inertial Effects are Dominant
Recent experimental studies of molten metal droplets wetting high temperature
reactive substrates have established that the majority of triple-line motion
occurs when inertial effects are dominant. In light of these studies, this
paper investigates wetting and spreading on reactive substrates when inertial
effects are dominant using a thermodynamically derived, diffuse interface model
of a binary, three-phase material. The liquid-vapor transition is modeled using
a van der Waals diffuse interface approach, while the solid-fluid transition is
modeled using a phase field approach. The results from the simulations
demonstrate an O \left( t^{-\nicefrac{1}{2}} \right) spreading rate during
the inertial regime and oscillations in the triple-line position when the metal
droplet transitions from inertial to diffusive spreading. It is found that the
spreading extent is reduced by enhancing dissolution by manipulating the
initial liquid composition. The results from the model exhibit good qualitative
and quantitative agreement with a number of recent experimental studies of
high-temperature droplet spreading, particularly experiments of copper droplets
spreading on silicon substrates. Analysis of the numerical data from the model
suggests that the extent and rate of spreading is regulated by the spreading
coefficient calculated from a force balance based on a plausible definition of
the instantaneous interface energies. A number of contemporary publications
have discussed the likely dissipation mechanism in spreading droplets. Thus, we
examine the dissipation mechanism using the entropy-production field and
determine that dissipation primarily occurs in the locality of the triple-line
region during the inertial stage, but extends along the solid-liquid interface
region during the diffusive stage
Phase field modeling of electrochemistry I: Equilibrium
A diffuse interface (phase field) model for an electrochemical system is
developed. We describe the minimal set of components needed to model an
electrochemical interface and present a variational derivation of the governing
equations. With a simple set of assumptions: mass and volume constraints,
Poisson's equation, ideal solution thermodynamics in the bulk, and a simple
description of the competing energies in the interface, the model captures the
charge separation associated with the equilibrium double layer at the
electrochemical interface. The decay of the electrostatic potential in the
electrolyte agrees with the classical Gouy-Chapman and Debye-H\"uckel theories.
We calculate the surface energy, surface charge, and differential capacitance
as functions of potential and find qualitative agreement between the model and
existing theories and experiments. In particular, the differential capacitance
curves exhibit complex shapes with multiple extrema, as exhibited in many
electrochemical systems.Comment: v3: To be published in Phys. Rev. E v2: Added link to
cond-mat/0308179 in References 13 pages, 6 figures in 15 files, REVTeX 4,
SIUnits.sty. Precedes cond-mat/030817
Phase field modeling of electrochemistry II: Kinetics
The kinetic behavior of a phase field model of electrochemistry is explored
for advancing (electrodeposition) and receding (electrodissolution) conditions
in one dimension. We described the equilibrium behavior of this model in [J. E.
Guyer, W. J. Boettinger, J.A. Warren, and G. B. McFadden, ``Phase field
modeling of electrochemistry I: Equilibrium'', cond-mat/0308173]. We examine
the relationship between the parameters of the phase field method and the more
typical parameters of electrochemistry. We demonstrate ohmic conduction in the
electrode and ionic conduction in the electrolyte. We find that, despite making
simple, linear dynamic postulates, we obtain the nonlinear relationship between
current and overpotential predicted by the classical ``Butler-Volmer'' equation
and observed in electrochemical experiments. The charge distribution in the
interfacial double layer changes with the passage of current and, at
sufficiently high currents, we find that the diffusion limited deposition of a
more noble cation leads to alloy deposition with less noble species.Comment: v3: To be published in Phys. Rev. E v2: Attempt to work around
turnpage bug. Replaced color Fig. 4a with grayscale 13 pages, 7 figures in 10
files, REVTeX 4, SIunits.sty, follows cond-mat/030817
Towards a quantitative phase-field model of two-phase solidification
We construct a diffuse-interface model of two-phase solidification that
quantitatively reproduces the classic free boundary problem on solid-liquid
interfaces in the thin-interface limit. Convergence tests and comparisons with
boundary integral simulations of eutectic growth show good accuracy for
steady-state lamellae, but the results for limit cycles depend on the interface
thickness through the trijunction behavior. This raises the fundamental issue
of diffuse multiple-junction dynamics.Comment: 4 pages, 2 figures. Better final discussion. 1 reference adde
Phase-field modeling of microstructural pattern formation during directional solidification of peritectic alloys without morphological instability
During the directional solidification of peritectic alloys, two stable solid
phases (parent and peritectic) grow competitively into a metastable liquid
phase of larger impurity content than either solid phase. When the parent or
both solid phases are morphologically unstable, i.e., for a small temperature
gradient/growth rate ratio (), one solid phase usually outgrows and
covers the other phase, leading to a cellular-dendritic array structure closely
analogous to the one formed during monophase solidification of a dilute binary
alloy. In contrast, when is large enough for both phases to be
morphologically stable, the formation of the microstructurebecomes controlled
by a subtle interplay between the nucleation and growth of the two solid
phases. The structures that have been observed in this regime (in small samples
where convection effect are suppressed) include alternate layers (bands) of the
parent and peritectic phases perpendicular to the growth direction, which are
formed by alternate nucleation and lateral spreading of one phase onto the
other as proposed in a recent model [R. Trivedi, Metall. Mater. Trans. A 26, 1
(1995)], as well as partially filled bands (islands), where the peritectic
phase does not fully cover the parent phase which grows continuously. We
develop a phase-field model of peritectic solidification that incorporates
nucleation processes in order to explore the formation of these structures.
Simulations of this model shed light on the morphology transition from islands
to bands, the dynamics of spreading of the peritectic phase on the parent phase
following nucleation, which turns out to be characterized by a remarkably
constant acceleration, and the types of growth morphology that one might expect
to observe in large samples under purely diffusive growth conditions.Comment: Final version, minor revisions, 16 pages, 14 EPS figures, RevTe
The evolution of manufacturing SPECIES
This research aims to develop hierarchical and cladistic classifications of manufacturing system evolution, incorporating evolving and interacting product, process and production system features. The objectives then are to systematically organise manufacturing systems and their characteristics in classifications Forty-six candidate species of manufacturing systems have been identified and organised in a 4th generation hierarchical classification with 14 ‘genera’, 6 ‘families’ 3 ‘orders’ and 1 ‘class’ of discrete manufacturing. The accompanying cladistic classification hypothesises the evolutionary history of manufacturing, using ‘descriptors’ drawn from a library of 12 characters and 66 states. These are consistent and synthesise many of the established typologies in the literature
Machine learning for predicting soil classes in three semi-arid landscapes
Mapping the spatial distribution of soil taxonomic classes is important for informing soil use and management decisions. Digital soil mapping (DSM) can quantitatively predict the spatial distribution of soil taxonomic classes. Key components of DSM are the method and the set of environmental covariates used to predict soil classes. Machine learning is a general term for a broad set of statistical modeling techniques. Many different machine learning models have been applied in the literature and there are different approaches for selecting covariates for DSM. However, there is little guidance as to which, if any, machine learning model and covariate set might be optimal for predicting soil classes across different landscapes.
Our objective was to compare multiple machine learning models and covariate sets for predicting soil taxonomic classes at three geographically distinct areas in the semi-arid western United States of America (southern New Mexico, southwestern Utah, and northeastern Wyoming). All three areas were the focus of digital soil mapping studies. Sampling sites at each study area were selected using conditioned Latin hypercube sampling (cLHS). We compared models that had been used in other DSM studies, including clustering algorithms, discriminant analysis, multinomial logistic regression, neural networks, tree based methods, and support vector machine classifiers. Tested machine learning models were divided into three groups based on model complexity: simple, moderate, and complex. We also compared environmental covariates derived from digital elevation models and Landsat imagery that were divided into three different sets: 1) covariates selected a priori by soil scientists familiar with each area and used as input into cLHS, 2) the covariates in set 1 plus 113 additional covariates, and 3) covariates selected using recursive feature elimination.
Overall, complex models were consistently more accurate than simple or moderately complex models.Random forests (RF) using covariates selected via recursive feature elimination was consistently most accurate, or was among the most accurate, classifiers sets within each study area. We recommend that for soil taxonomic class prediction, complex models and covariates selected by recursive feature elimination be used.
Overall classification accuracy in each study area was largely dependent upon the number of soil taxonomic classes and the frequency distribution of pedon observations between taxonomic classes. 43 Individual subgroup class accuracy was generally dependent upon the number of soil pedon 44 observations in each taxonomic class. The number of soil classes is related to the inherent variability of a given area. The imbalance of soil pedon observations between classes is likely related to cLHS. Imbalanced frequency distributions of soil pedon observations between classes must be addressed to improve model accuracy. Solutions include increasing the number of soil pedon observations in classes with few observations or decreasing the number of classes. Spatial predictions using the most accurate models generally agree with expected soil-landscape relationships. Spatial prediction uncertainty was lowest in areas of relatively low relief for each study area
Phase-Field Approach for Faceted Solidification
We extend the phase-field approach to model the solidification of faceted
materials. Our approach consists of using an approximate gamma-plot with
rounded cusps that can approach arbitrarily closely the true gamma-plot with
sharp cusps that correspond to faceted orientations. The phase-field equations
are solved in the thin-interface limit with local equilibrium at the
solid-liquid interface [A. Karma and W.-J. Rappel, Phys. Rev. E53, R3017
(1996)]. The convergence of our approach is first demonstrated for equilibrium
shapes. The growth of faceted needle crystals in an undercooled melt is then
studied as a function of undercooling and the cusp amplitude delta for a
gamma-plot of the form 1+delta(|sin(theta)|+|cos(theta)|). The phase-field
results are consistent with the scaling law "Lambda inversely proportional to
the square root of V" observed experimentally, where Lambda is the facet length
and V is the growth rate. In addition, the variation of V and Lambda with delta
is found to be reasonably well predicted by an approximate sharp-interface
analytical theory that includes capillary effects and assumes circular and
parabolic forms for the front and trailing rough parts of the needle crystal,
respectively.Comment: 1O pages, 2 tables, 17 figure
Thermodynamic limits of crystallization and the prediction of glass formation tendency
A mathematical framework for critical transitions: normal forms, variance and applications
Critical transitions occur in a wide variety of applications including
mathematical biology, climate change, human physiology and economics. Therefore
it is highly desirable to find early-warning signs. We show that it is possible
to classify critical transitions by using bifurcation theory and normal forms
in the singular limit. Based on this elementary classification, we analyze
stochastic fluctuations and calculate scaling laws of the variance of
stochastic sample paths near critical transitions for fast subsystem
bifurcations up to codimension two. The theory is applied to several models:
the Stommel-Cessi box model for the thermohaline circulation from geoscience,
an epidemic-spreading model on an adaptive network, an activator-inhibitor
switch from systems biology, a predator-prey system from ecology and to the
Euler buckling problem from classical mechanics. For the Stommel-Cessi model we
compare different detrending techniques to calculate early-warning signs. In
the epidemics model we show that link densities could be better variables for
prediction than population densities. The activator-inhibitor switch
demonstrates effects in three time-scale systems and points out that excitable
cells and molecular units have information for subthreshold prediction. In the
predator-prey model explosive population growth near a codimension two
bifurcation is investigated and we show that early-warnings from normal forms
can be misleading in this context. In the biomechanical model we demonstrate
that early-warning signs for buckling depend crucially on the control strategy
near the instability which illustrates the effect of multiplicative noise.Comment: minor corrections to previous versio
- …