Reaction and Transport Models of the MOVPE of Ternary III-V Semiconductors

1992 ◽  
Vol 282 ◽  
Author(s):  
N. K. Ingle ◽  
T. J. Mountziaris
Keyword(s):  
Transport Model ◽  
Operating Conditions ◽  
Limited Growth ◽  
Transport Models ◽  
Group Iii ◽  
Diffusion Limited ◽  
Horizontal Reactor ◽  
Trimethyl Gallium ◽  
Trimethyl Aluminum ◽  
Deposited Films

ABSTRACTReaction and transport models describing the deposition of thin films of ternary compoundsemiconductors by Metalorganic Vapor Phase Epitaxy (MOVPE) are being developed. The growth of AlxGa1−x As (0≤x≤1) films from trimethyl-aluminum (TMA1), trimethyl-gallium (TMG) and arsine has been used as a typical example. A kinetic model of the process including both gas phase and surface reactions has been coupled to a two-dimensional transport model of a horizontal reactor with a flat susceptor. The model predicts reported experimental observations on growth rates and film compositions [1] using a single adjustable parameter, the activation energy of the the AlAs growth reaction. A parametric study was performed to identify operating conditions maximizing the thickness andcompositional uniformity of the deposited films. All inlet flow rates considered in this work were higher than the ones required to suppress transverse buoyancy-driven recirculations in the reactor [2,3]. Such conditions permit the growth of abrupt heterojunctions byrapidly switching various precursors on and off. Our results indicate that the most promising operating conditions coincide with the transition from kinetic limited to diffusion limited growth, which occurs at temperatures between 800 K and 850 K for typical experiments [1]. The optimal inlet mole fraction of the limiting group-III species was found to be about 6×10−4 for such cases.

Modelling of Gas-Phase and Surface Kinetics in Movpe of GaAs and AlxGal-xAs

1990 ◽  
Vol 204 ◽  
Author(s):  
T.J. Mountziaris ◽  
N.K. Ingle ◽  
S. Kalyanasundaram
Keyword(s):  
Gas Phase ◽  
Kinetic Models ◽  
Operating Conditions ◽  
Surface Kinetics ◽  
Tertiary Butyl ◽  
Gaas Films ◽  
Flow Heat ◽  
Chemical Reaction Mechanisms ◽  
Trimethyl Gallium ◽  
Trimethyl Aluminum

ABSTRACTWe present detailed chemical reaction mechanisms that describe the deposition of GaAs films from tertiary-butyl-arsine (TBA) and trimethyl-gallium (TMG) as well as the deposition of AlxGa1-xAs (0≤x≤1) films from trimethyl-aluminum (TMAl), TMG and arsine during metalorganic vapor phase epitaxy (MOVPE). The kinetic models include both gas-phase and surface reactions, whose rates are used to predict production or consumption of the participating species as well as the growth rate of the film. Two-dimensional simulations of flow, heat and mass transfer in horizontal MOVPE reactors have been coupled with the kinetic models to provide a realistic picture of the process. The predicted growth rates at different operating conditions as well as the predicted incorporation ratio, x, of Al in the AlxGal-xAs films are in good agreement with experimental observations.

Diffusion limited growth-up of channels of ICF and its influence on integral flow through the channel

2009 ◽  
Vol 45 (4) ◽  
pp. 613-621
Author(s):  
V. Frishfelds ◽  
◽  
A. Jakovičs ◽  
B. Nacke ◽  
E. Baake ◽  
...  
Keyword(s):  
Limited Growth ◽  
Diffusion Limited ◽  
Flow Through

scholarly journals Development of a Component-Level Hydrogen Transport Model with OpenFOAM and Application to Tritium Transport Inside a DEMO HCPB Breeder

2021 ◽  
Vol 11 (8) ◽  
pp. 3481
Author(s):  
Volker Pasler ◽  
Frederik Arbeiter ◽  
Christine Klein ◽  
Dmitry Klimenko ◽  
Georg Schlindwein ◽  
...  
Keyword(s):  
Transport Model ◽  
Tritium Concentration ◽  
Minor Role ◽  
Specific Rate ◽  
Component Level ◽  
Diffusion Limited ◽  
Purge Gas ◽  
Choice Of Species ◽  
The Impact ◽  
Tritium Transport

This work continues the development of a numerical model to simulate transient tritium transport on the breeder zone (BZ) level for the EU helium-cooled pebble bed (HCPB) concept for DEMO. The basis of the model is the open-source field operation and manipulation framework, OpenFOAM. The key output quantities of the model are the tritium concentration in the purge gas and in the coolant and the tritium inventory inside the BZ structure. New model features are briefly summarized. As a first relevant application a simulation of tritium transport for a single pin out of the KIT HCPB design for DEMO is presented. A variety of scenarios investigates the impact of the permeation regime (diffusion-limited vs. surface-limited), of an additional hydrogen content of 300 Pa H2 in the purge gas, of the released species (HT vs. T2), and of the choice of species-specific rate constants (recombination constant of HT set twice as for H2 and T2). The results indicate that the released species plays a minor role for permeation. Both permeation and inventory show a considerable dependence on a possible hydrogen addition in the purge gas. An enhanced HT recombination constant reduces steel T inventories and, in the diffusion-limited case, also permeation significantly. Scenarios with 80 bar vs. 2 bar purge gas pressure indicate that purge gas volumetric flow is decisive for permeation.

The Formation of Cu3Si from Cu/a-Si Multilayers

1997 ◽  
Vol 481 ◽  
Author(s):  
R. R. Chromik ◽  
W. K. Neils ◽  
E. J. Cotts
Keyword(s):  
Diffusion Couples ◽  
X Ray Diffraction ◽  
Limited Growth ◽  
Scanning Calorimetry ◽  
Individual Layer ◽  
Diffusion Limited ◽  
Reaction Constant ◽  
Multilayered Composites ◽  
Reaction Constants ◽  
Kinetics Of

ABSTRACTThe kinetics of the formation of Cu3Si in Cu/a-Si diffusion couples have been investigated by means of differential scanning calorimetry and x-ray diffraction. Multilayered composites of average stoichiometry Cu3Si were prepared by sputter deposition with individual layer thicknesses varying in different samples between 2 and 100 nm. We observed diffusion limited growth of Cu3 Si upon annealing these diffusion couples below 500 K. Reaction constants were measured for a temperature range of 455 to 495 K for thicknesses of growing Cu3Si between 2.6 and 80 nm. The temperature dependence of the reaction constant, k2, was characterized as k2 = k0 exp(− Ea/kbT) with activation energy, Ea = 1.0 eV/atom and pre-factor, k0 = 1.9×10−3 cm2/s.

The effect of the pool and riffle on dissolved, non-conservative mass transport in rivers

2013 ◽  
Vol 48 (3) ◽  
pp. 232-242
Author(s):  
Ian H. Halket ◽  
Peter F. Rasmussen ◽  
John C. Doering
Keyword(s):  
Transport Model ◽  
Low Flow ◽  
Transport Models ◽  
Cross Sectional ◽  
Lower Velocity ◽  
Regulatory Limits ◽  
Uniform Channel ◽  
River Reach ◽  
Model Equations ◽  
Sectional Shape

One-dimensional substance transport models assume that the river reach modelled has a uniform cross-sectional shape which manifests as a constant average velocity in the model equations. Rarely do rivers meet this criterion. Their channels are seldom uniform in shape but rather alternate in a quasi-periodic manner between pool and riffle sections. This bedform sequencing imparts a corresponding variation in the average cross-sectional velocity which is not accounted for in constant velocity transport models. The literature points out that the pool and riffle planform may be the reason for the sometimes poor predictions obtained from these models. This paper presents a new variable velocity transport model and confirms that the fluctuation in average cross-sectional velocity caused by the pool and riffle planform does have a marked effect on transport in rivers. The pool and riffle planform promotes an enhanced decay of a substance when a first-order biochemical reaction is simulated with the new transport equation. Investigation of the analytical solution shows that the enhanced decay is the result of the overall lower velocity experienced in a pool and riffle channel as opposed to a uniform channel. This difference in transport velocity between a pool and riffle channel and a uniform channel becomes more pronounced as flow declines a critical finding for total maximum daily load calculations because these regulatory limits are usually determined for low flow levels by models that do not account for this phenomenon.

scholarly journals Skill-Testing Chemical Transport Models across Contrasting Atmospheric Mixing States Using Radon-222

2018 ◽  
Author(s):  
Scott D. Chambers ◽  
Elise-Andree Guérette ◽  
Khalia Monk ◽  
Alan D. Griffiths ◽  
Yang Zhang ◽  
...  
Keyword(s):  
Air Quality ◽  
Diurnal Cycle ◽  
Transport Model ◽  
Chemical Transport ◽  
Chemical Transport Model ◽  
Transport Models ◽  
Potential Health ◽  
Meteorological Model ◽  
Model Skill ◽  
Chemical Transport Models

We propose a new technique to prepare statistically-robust benchmarking data for evaluating chemical transport model meteorology and air quality parameters within the urban boundary layer. The approach employs atmospheric class-typing, using nocturnal radon measurements to assign atmospheric mixing classes, and can be applied temporally (across the diurnal cycle), or spatially (to create angular distributions of pollutants as a top-down constraint on emissions inventories). In this study only a short (<1-month) campaign is used, but grouping of the relative mixing classes based on nocturnal mean radon concentrations can be adjusted according to dataset length (i.e., number of days per category), or desired range of within-class variability. Calculating hourly distributions of observed and simulated values across diurnal composites of each class-type helps to: (i) bridge the gap between scales of simulation and observation, (ii) represent the variability associated with spatial and temporal heterogeneity of sources and meteorology without being confused by it, and (iii) provide an objective way to group results over whole diurnal cycles that separates ‘natural complicating factors’ (synoptic non-stationarity, rainfall, mesoscale motions, extreme stability, etc.) from problems related to parameterizations, or between-model differences. We demonstrate the utility of this technique using output from a suite of seven contemporary regional forecast and chemical transport models. Meteorological model skill varied across the diurnal cycle for all models, with an additional dependence on the atmospheric mixing class that varied between models. From an air quality perspective, model skill regarding the duration and magnitude of morning and evening “rush hour” pollution events varied strongly as a function of mixing class. Model skill was typically the lowest when public exposure would have been the highest, which has important implications for assessing potential health risks in new and rapidly evolving urban regions, and also for prioritizing the areas of model improvement for future applications.

scholarly journals Model – TCCON comparisons of column-averaged methane with a focus on the stratosphere

2016 ◽  
Author(s):  
Andreas Ostler ◽  
Ralf Sussmann ◽  
Prabir K. Patra ◽  
Sander Houweling ◽  
Marko De Bruine ◽  
...  
Keyword(s):  
Atmospheric Chemistry ◽  
Transport Model ◽  
Meteorological Data ◽  
Michelson Interferometer ◽  
Total Carbon ◽  
Data Sets ◽  
Transport Models ◽  
Improved Model ◽  
The Impact ◽  
Chemistry Experiment

Abstract. The distribution of methane (CH4) in the stratosphere can be a major driver of spatial variability in the dry-air column-averaged CH4 mixing ratio (XCH4), which is being measured increasingly for the assessment of CH4 surface emissions. Chemistry-transport models (CTMs) therefore need to simulate the tropospheric and stratospheric fractional columns of XCH4 accurately for estimating surface emissions from XCH4. Simulations from three CTMs are tested against XCH4 observations from the Total Carbon Column Network (TCCON). We analyze how the model-TCCON agreement in XCH4 depends on the model representation of stratospheric CH4 distributions. Model equivalents of TCCON XCH4 are computed with stratospheric CH4 fields from both the model simulations and from satellite-based CH4 distributions from MIPAS (Michelson Interferometer for Passive Atmospheric Sounding) and MIPAS CH4 fields adjusted to ACE-FTS (Atmospheric Chemistry Experiment Fourier Transform Spectrometer) observations. In comparison to simulated model fields we find an improved model-TCCON XCH4 agreement for all models with MIPAS-based stratospheric CH4 fields. For the Atmospheric Chemistry Transport Model (ACTM) the average XCH4 bias is significantly reduced from 38.1 ppb to 13.7 ppb, whereas small improvements are found for the models TM5 (Transport Model, version 5; from 8.7 ppb to 4.3 ppb), and LMDz (Laboratoire de Météorologie Dynamique model with Zooming capability; from 6.8 ppb to 4.3 ppb), respectively. MIPAS stratospheric CH4 fields adjusted to ACE-FTS reduce the average XCH4 bias for ACTM (3.3 ppb), but increase the average XCH4 bias for TM5 (10.8 ppb) and LMDz (20.0 ppb). These findings imply that the range of satellite-based stratospheric CH4 is insufficient to resolve a possible stratospheric contribution to differences in total column CH4 between TCCON and TM5 or LMDz. Applying transport diagnostics to the models indicates that model-to-model differences in the simulation of stratospheric transport, notably the age of stratospheric air, can largely explain the inter-model spread in stratospheric CH4 and, hence, its contribution to XCH4. This implies that there is a need to better understand the impact of individual model transport components (e.g., physical parameterization, meteorological data sets, model horizontal/vertical resolution) on modeled stratospheric CH4.

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