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Large scale, multidisciplinary, engineering designs are always difficult due to the complexity and dimensionality of these problems. Direct coupling between the analysis codes and the optimization routines can be prohibitively time consuming due to the complexity of the underlying simulation codes. One way of tackling this problem is by constructing computationally cheap(er) approximations of the expensive simulations, that mimic the behavior of the simulation model as closely as possible. This paper presents a data driven, surrogate based optimization algorithm that uses a trust region based sequential approximate optimization (SAO) framework and a statistical sampling approach based on design of experiment (DOE) arrays. The algorithm is implemented using techniques from two packages—SURFPACK and SHEPPACK that provide a collection of approximation algorithms to build the surrogates and three different DOE techniques—full factorial (FF), Latin hypercube sampling (LHS), and central composite design (CCD)—are used to train the surrogates. The results are compared with the optimization results obtained by directly coupling an optimizer with the simulation code. The biggest concern in using the SAO framework based on statistical sampling is the generation of the required database. As the number of design variables grows, the computational cost of generating the required database grows rapidly. A data driven approach is proposed to tackle this situation, where the trick is to run the expensive simulation if and only if a nearby data point does not exist in the cumulatively growing database. Over time the database matures and is enriched as more and more optimizations are performed. Results show that the proposed methodology dramatically reduces the total number of calls to the expensive simulation runs during the optimization process.

Computational steering allows scientists to interactively control a numerical experiment and adjust parameters of the computation on-the-fly and explore “what if ” analysis. Computational steering effectively reduces computational time, makes research more efficient, and opens up new product design opportunities. There are several problem solving environments (PSEs) featuring computational steering. However, there is hardly any work explaining how to enable computational steering for PSEs embedded with legacy simulation codes. This paper describes a practical approach to implement computational steering for such PSEs by using WBCSim as an example. WBCSim is a Web based simulation system designed to increase the productivity of wood scientists conducting research on wood-based composites manufacturing processes. WBCSim serves as a prototypical example for the design, construction, and evaluation of small-scale PSEs. Various changes have been made to support computational steering across the three layers—client, server, developer—comprising the WBCSim system. A detailed description of the WBCSim system architecture is presented, along with a typical scenario of computational steering usage.

Product quality and cost efficiency continue to grow in importance for the wood-based composites industry. The complex dynamics of the manufacturing process lends itself to the adoption of simulation models. Simulation models may be used to understand and manipulate the many parameters involved in the manufacturing process. However, most of the simulation models that have been developed over the last two decades have not been implemented due to a lack of continued technical support and a poor user interface. WBCSim is a prototype, Web based, problem solving environment (PSE) that was developed to assist manufacturers and scientists in the design and manufacture of selected wood-based composite products. At the heart of WBCSim is a collection of legacy codes, which are described here. This PSE demonstrates the possibility of implementing scientific computing into a manufacturing application.

This paper describes how XML is used to unify the implementation layers of a problem solving environment WBCSim. WBCSim is a Web based simulation system designed to increase the productivity of wood scientists conducting research on wood-based composites manufacturing processes. WBCSim serves as a prototypical example for the design, construction, and evaluation of small-scale problem solving environments. WBCSim supports five process models. A XML datasheet is tailored for each model. The WBCSim interface layer, server scripts and database management system all use this XML datasheet to improve the usability and maintainability of the three layers--client, server, developer--comprising the WBCSim system. A detailed description of the WBCSim system architecture is presented along with a typical scenario of usage.

This paper describes a computing environment WBCSim that increases the productivity of wood scientists conducting research on wood-based composite materials and manufacturing processes. WBCSim integrates Fortran 90 simulation codes with a Web-based graphical front end, an optimization tool, and various visualization tools. WBCSim serves as an example for the design, construction, and evaluation of small-scale problem solving environments. WBCSim supports six models. A detailed description of the system architecture and a typical scenario of usage are presented, along with optimization and visualization features.

This paper describes a computing environment named WBCSim that is intended to increase the productivity of wood scientists conducting research on wood-based composite materials. WBCSim integrates Fortran 77-based simulation codes with a graphical front end, an optimization tool, and a visualization tool. WBCSim serves as a prototype for the design, construction, and evaluation of larger scale problem solving (computing) environments. Several different wood-based composite material simulations are supported. A detailed description of the prototype's software architecture and a typical scenario of use are presented. The system converts output from the simulations to the Virtual Reality Modeling Language (VRML) for visualizing simulation results.

A wood surface, which is exposed to a high temperature condition, can experience inactivation. Surface inactivation results in reduced ability of an adhesive to properly wet, flow, penetrate, and cure. Thus, an inactivated wood surface does not bond well with adhesives. The changes in surface chemistry, wettability, and adhesion of inactivated wood surfaces, including heartwood of yellow-poplar (Liriodendron tulipifera) and southern pine (Pinus taeda), were studied. Wood samples were dried from the green moisture content condition in a convection oven at five different temperature levels ranging from 50 to 200 °C. The comparative characterization of the surface was done by X-ray photoelectron spectroscopy (XPS), sessile drop wettability, and fracture testing of adhesive bonds. The oxygen to carbon ratio (O/C) decreased and the C1/C2 ratio increased with drying temperature. The C1 component is related to carbon-carbon or carbon-hydrogen bonds, and the C2 component represents single carbon-oxygen bond. A low O/C ratio and a high C1/C2 ratio reflected a high concentration of non-polar wood components (extractives/VOCs) on the wood surface, which modified the wood surface from hydrophilic to more hydrophobic. Wettability was directly related to the O/C ratio and inversely related to the C1/C2 ratio. Contact angle decreased with time and increased with the temperature of exposure. Southern pine had a lower wettability than yellow-poplar, which was due to a greater concentration of non-polar hydrocarbon-type extractives and heat-generated volatiles on the surface. Solvent extraction prior to drying did not improved wettability, whereas, extraction after drying improved wettability. A contribution of extractives migration and VOCs generation played a significant role in the heat-induced inactivation process of southern pine. The maximum strain energy release rate (Gmax) showed that surface inactivation was insignificant for yellow-poplar when exposed to drying temperatures < 187°C. The southern pine was most susceptible to inactivation at drying temperatures > 156°C, particularly when bonded with phenol-formaldehyde (PF) adhesive. Chemical treatments improved the wettability of inactivated wood surfaces, but an improvement in adhesion was not evident for specimens bonded with polyvinyl-acetate (PVA) adhesive. NaOH surface treatment was most effective for improving adhesion of the PF adhesive bond. Ph. D.

A problem solving environment (PSE) is a computational system that provides a complete and convenient set of high level tools for solving problems from a specific domain. This thesis takes an in-depth look at the experiment management aspect of PSEs, which can be divided into three levels: 1) data management, 2) change management, and 3) execution management. At the data management level, anything related to an experiment (computer simulation) should be stored and documented. A database management system can be used to store the simulation runs for a PSE. Then various high level interfaces can be provided to allow users to save, retrieve, search, and compare these simulation runs. At the change management level, a scientist should only focus on how to solve a problem in the experiment domain. Aside from running experiments, a scientist may only consider how to define a new model, how to modify an existing model, and how to interpret an experiment result. By using XML to describe a simulation model and unify various implementation layers, changing an existing model in a PSE can be intuitive and fast. At the execution management level, how an experiment is executed is the main concern. By providing a computational steering capability, a scientist can pause, examine, and compare the intermediate results from a simulation. Contrasted with the traditional way of running a lengthy simulation to see the result at the end, computational steering can leverage the user's expert knowledge on the fly (during the simulation run) and provide new insights and new product design opportunities. This thesis illustrates these concepts and implementation by using WBCSim as an example. WBCSim is a PSE that increases the productivity of wood scientists conducting research on wood-based composite materials and manufacturing processes. It integrates Fortran 90 simulation codes with a Web based graphical front end, an optimization tool, and various visualization tools. The WBCSim project was begun in 1997 with support from United States Department of Agriculture, Department of Energy, and Virginia Tech. It has since been used by students in several wood science classes, by graduate students and faculty, and by researchers at several forest products companies. WBCSim also serves as a test bed for the design, construction, and evaluation of useful, production quality PSEs. Ph. D.

Cure time is often the bottleneck of composite manufacturing processes, therefore it is important to understand the cure of today's thermosetting adhesives. This research attempts to characterize the cure rate of two commercial phenol-formaldehyde adhesives. Two methods are used, parallel-plate rheometry and dielectric spectroscopy. Viscosity data from a parallel-plate rheometer may be used to track the advance of polymerization as a function of temperature. This data can then be used to optimize press conditions and reduce production times and costs. The research will further examine resin cure through dielectric analysis; such a technique could monitor resin cure directly and in real-time press situations. Hot-pressing processes could conceivably no longer require a set press schedule; instead they would be individually set based on dielectric data for every press batch. Such a system may lead to a more efficient and uniform product because press times could be based on individual press cycles instead of entire product lines. A more likely scenario, however, is the use of in situ adhesive cure monitoring for troubleshooting or press schedule development. This research characterized the cure of two phenol-formaldehyde resins using parallel-plate rheometry, fringe-field dielectric analysis, and parallel-plate dielectric analysis. The general shape of the storage modulus vs. time curve and the gel and vitrification points in a temperature ramp were found. Both dielectric analysis techniques were able to characterize trends in the resin cure and detect points such as vitrification. The two techniques were also found to be comparable when the cure profiles of similar conditions were examined. Master of Science

The effect of cyclic moisture infiltration on connections in light-frame wood buildings has received limited research attention. Specifically, the connections between wood-based sheathing materials (OSB, plywood) and solid wood studs are of interest. A comprehensive understanding of connection performance will enhance structure and material design, thereby improving the overall integrity and robustness of light-frame structures. The focus of this research project was to evaluate the strength and stiffness of wood-frame connections exposed to cyclic humidity conditioning. Nailed sheathing/stud connection samples were tested for lateral resistance following various periods of moisture exposure. Elastic stiffness, 5% offset yield load, maximum yield load, and failure yield were computed and analyzed using the data collected. The parameters were compared among connection specimens receiving either 0, 1, 5, 10, 15, 25, or 40 periods of cyclic moisture conditioning. In addition, the bearing resistances of the materials were investigated for application to the general dowel equations for calculating lateral connection values, the current basis for design of single dowel-type fastener connections between wood-based members. An x-ray density profilometer was used to observe the de-densification processes within the composite sheathing materials throughout the moisture conditioning regime. Results indicated moderate to extreme changes in the performance of cycled connections involving lower density sheathing materials. Higher density sheathing materials performed favorably at each cycle test period. Comparisons to the yield model were similar to the control results, but usually differed as cycling increased. Analysis of connection performance following cyclic moisture loading is a vital component in developing a holistic model for service-life prediction of nailed connections in light-frame residential construction. Master of Science

Convective heat transfer during hot pressing in wood-based composite panel manufacturing is widely accepted as the most important means of heat transport for resin curing. The rate of convective heat transfer to the panel core is controlled by its permeability. Permeability in the plane of the panel also controls the flow of vapor to the panel edges, thereby influencing the potential for panel "blowing". This research considers how flake thickness, flake alignment and changing mat density during hot-pressing influences OSB mat permeability, through its thickness and in the plane of the panel. Some previous research exists but it fails to address the affects of horizontal and vertical density gradients as well as flake alignment. An apparatus was designed to allow cold pressing of aligned flakes to desired densities while enabling permeability measurements through the mat thickness. An additional apparatus was designed to allow the measuring of permeability in the plane of the mat. These designs permitted permeability measurements in mats that had no vertical density gradient, allowing for the direct study of permeability versus density (compaction ratio). Superficial permeability was determined using Darcy's law and for each sample, multiple readings were made at five different pressure differentials. Permeability through the mat thickness was highly dependent on compaction ratio and to a lesser extent flake thickness. As the compaction ratio is increased, the initial reduction in permeability is severe, once higher compaction ratios are achieved the reduction in permeability is less pronounced. Permeability decreased with decreasing flake thickness. Permeability in the plane of the mat decreases with increasing compaction ratio but in a less severe manner than through the mat thickness. In this case, the permeability-compaction ratio relationship appears linear in nature. Again, permeability decreases with decreasing flake thickness. Master of Science

This work addresses the distribution of N-methylolacrylamide (NMA) units in crosslinking poly(vinyl acetate) (PVAc) adhesives. In this case, distribution refers to the three potential locations of polymerized NMA units in a latex: the water-phase, the surface of polymer particles, and the core of the polymer particles. The objective is to identify the distribution of NMA in three latices and to determine whether NMA distribution correlates with durability related performance. NMA distribution was studied via a series of variable temperature solution NMR experiments, while the durability-related performance was studied via mode I fracture mechanics tests. Studying the distribution of NMA required the use of isotopically labeled NMA. Both 15N-NMA and 13C, 15N-NMA were synthesized. Three NMA/vinyl acetate (VAc) latices were prepared. The NMA feed strategy was varied during each of the three emulsion copolymerizations. Latex characterization methods including differential scanning calorimetry (DSC), rheometry, particle size analysis, and scanning electron microscopy (SEM) were used to study the three latices. The solution NMR method to identify NMA distribution was performed on untreated latices and on washed latices. Washing techniques included membrane dialysis and centrifugation. Results revealed that the three latices had different NMA distributions, and that the distributions were related to the expected differences in microstructure. Latex 3 had ~ 80% core-NMA, while Latex 2 had ~ 80% surface-NMA. Latex 1 had a high proportion of surface-NMA (~60%), but also had the highest proportion of water-phase NMA (~ 20%). This high proportion of water-phase NMA could be responsible for the unique morphology Latex 1 exhibited in SEM studies. Mode I opening fracture mechanics studies were used to study adhesive performance. Specimens were analyzed after exposure to accelerated aging treatments. Latex 2 and Latex 3 exhibited very similar results, despite having very different NMA distributions. All three latices showed good durability related performance. In Latex 2 and Latex 3, the critical strain energy release rates (Gc) after accelerated aging treatments were statistically the same as the Gc of the control specimens. The most interesting finding was that the Latex 1 Gc values were significantly higher after accelerated aging. Latex 1 also had the highest proportion of water-phase NMA. Bondline images and SEM micrographs both indicated that the integrity of Latex 1 was least affected by the accelerated aging treatments. Ph. D.