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Articles 1 - 30 of 66

Full-Text Articles in Computational Engineering

Combined Risk Based Inspection And Fault Tree Analysis For Repetitive 3-Phase Line Piping Leakage At West Java Offshore Topside Facility, Dona Yuliati, Akhmad Herman Yuwono, Datu Rizal Asral, Donanta Dhaneswara Dec 2023

Combined Risk Based Inspection And Fault Tree Analysis For Repetitive 3-Phase Line Piping Leakage At West Java Offshore Topside Facility, Dona Yuliati, Akhmad Herman Yuwono, Datu Rizal Asral, Donanta Dhaneswara

Journal of Materials Exploration and Findings (JMEF)

Hydrocarbon releases might result in serious consequences in various aspects. In addition to the contribution to environmental pollution, repetitive leakages need high repair costs. This study aim is to minimize potential repetitive leakage for other typical 3-phase piping systems. We conducted the risk assessment by adopting Risk Based Inspection (RBI) API 581 to identify risk level, calculating piping lifetime, recommended inspection plan and mitigations. The most relevant root causes can be obtained through quantitative Fault Tree Analysis (FTA). Observation and investigation was taken from eight 3-phase piping systems that experienced repetitive leakages. It has been found that the risk level …


Nitrogen Gas Quenching Pressure Effect On Bs S155 Alloy Steel In Vacuum Furnace, Agus Mulyadi Hasanudin, Eddy Sumarno Siradj Dec 2023

Nitrogen Gas Quenching Pressure Effect On Bs S155 Alloy Steel In Vacuum Furnace, Agus Mulyadi Hasanudin, Eddy Sumarno Siradj

Journal of Materials Exploration and Findings (JMEF)

The production of metal and alloy products requires the use of heat treatment, when during the heat treatment process, quenching is a crucial step. The quenching medium can be anything from water, a salt bath, oil, air and gas. In a vacuum furnace, pressurized gas, most frequently nitrogen (N2) gas, serves as one of the quenching mediums. One of the drawbacks of the quenching process is the distortion and dimensional change of the parts. This paper aims to investigate the influence of nitrogen gas quenching pressure on the distortion and dimensional change of aerospace actuator gear planet parts …


Pipeline Risk Analysis Optimization With Monte Carlo Method Using Gamma Distribution, Farhan Rama Digita, Jaka Fajar Fatriansyah, Abdul Rahim Ridzuan, Hanna Ovelia, Imam Abdillah Mas'ud, Irma Hartia Tihara, Baiq Diffa Pakarti Linuwih Dec 2023

Pipeline Risk Analysis Optimization With Monte Carlo Method Using Gamma Distribution, Farhan Rama Digita, Jaka Fajar Fatriansyah, Abdul Rahim Ridzuan, Hanna Ovelia, Imam Abdillah Mas'ud, Irma Hartia Tihara, Baiq Diffa Pakarti Linuwih

Journal of Materials Exploration and Findings (JMEF)

The inspection process of piping components in the oil and gas industry is one of the most crucial things, given the high risk posed by pipeline system failures, which have a huge impact on losses, both from environmental and financial aspects. Risk-based inspection with the Monte Carlo method is one of the efforts that can be made to minimize failures in piping systems, by involving data distribution to calculate the probability of component failure. Although the normal distribution is commonly used for generating random variables, its use in corrosion rate calculation can lead to overestimation due to negative corrosion rate …


Neurocomputing And Interfacing Digital Tasting System: Research, Design, And Evaluation, Amira J. Zaylaa, Ahmad El Hajj Jun 2023

Neurocomputing And Interfacing Digital Tasting System: Research, Design, And Evaluation, Amira J. Zaylaa, Ahmad El Hajj

BAU Journal - Science and Technology

The continuous evolution in computing and interfacing has been extended to develop multi-sensory experiences in many domains such as neurological, auditory, vision, and haptic domains. So far, only a few remarkable system approaches have been approved to be serving the taste sensation digitally. Although taste sensation is linked to the brain, there is a lack of optimal neurocomputing digital taste sensation systems. Our study provides a new neurocomputing method to digitally stimulate the sense of taste by electrical stimulation on the human tongue. We aim to link chemical stimulation and electrical stimulation in order to design an electronic interface for …


Machine Learning-Based Data And Model Driven Bayesian Uncertanity Quantification Of Inverse Problems For Suspended Non-Structural System, Zhiyuan Qin May 2023

Machine Learning-Based Data And Model Driven Bayesian Uncertanity Quantification Of Inverse Problems For Suspended Non-Structural System, Zhiyuan Qin

All Dissertations

Inverse problems involve extracting the internal structure of a physical system from noisy measurement data. In many fields, the Bayesian inference is used to address the ill-conditioned nature of the inverse problem by incorporating prior information through an initial distribution. In the nonparametric Bayesian framework, surrogate models such as Gaussian Processes or Deep Neural Networks are used as flexible and effective probabilistic modeling tools to overcome the high-dimensional curse and reduce computational costs. In practical systems and computer models, uncertainties can be addressed through parameter calibration, sensitivity analysis, and uncertainty quantification, leading to improved reliability and robustness of decision and …


Molecular Dynamics Modeling Of Polymers For Aerospace Composites, Swapnil Sambhaji Bamane Jan 2023

Molecular Dynamics Modeling Of Polymers For Aerospace Composites, Swapnil Sambhaji Bamane

Dissertations, Master's Theses and Master's Reports

Polymer matrix composite materials are widely used as structural materials in aerospace and aeronautical vehicles. Resin/reinforcement wetting and the effect of polymerization on the thermo-mechanical properties of the resin are key parameters in the manufacturing of aerospace composite materials. Determining the contact angle between combinations of liquid resin and reinforcement surfaces is a common method for quantifying wettability. It is challenging to determine contact angle values experimentally of high-performance resins on CNT materials such as CNT, graphene, bundles or yarns, and BNNT surfaces. It is also experimentally difficult to determine the effect of polymerization reaction on material properties of a …


Investigation Of The Effect Of Corundum Layer On The Heat Transfer Of Sic Slab, Sri Elsa Fatmi, Donanta Dhaneswara, Muhammad Anis, Ahmad Ashari Dec 2022

Investigation Of The Effect Of Corundum Layer On The Heat Transfer Of Sic Slab, Sri Elsa Fatmi, Donanta Dhaneswara, Muhammad Anis, Ahmad Ashari

Journal of Materials Exploration and Findings (JMEF)

Aluminum is the most widely used metal in industry. Aluminum smelting is one of the important steps that needs to be carried out to produce products made of aluminum metal with good quality. In the process of smelting aluminum there are several problems that occur, one of which is the growth of corundum in Si C refractories which affects the quality of aluminum melt and the durability of Si C refractories. This research was conducted to see the heat transfer in Si C and the effect of the presence of Corundum on heat transfer. This research was carried out by …


Dynamic Rbi With Central Difference Method Approach In Calculation Of Uniform Corrosion Rate: A Casestudy On Gas Pipelines, M.Riefqi Dwi Alviansyah, Fernanda Hartoyo, Zahra Nadia Nurullia, Ari Kurniawan Dec 2022

Dynamic Rbi With Central Difference Method Approach In Calculation Of Uniform Corrosion Rate: A Casestudy On Gas Pipelines, M.Riefqi Dwi Alviansyah, Fernanda Hartoyo, Zahra Nadia Nurullia, Ari Kurniawan

Journal of Materials Exploration and Findings (JMEF)

The oil and gas industry generally uses a piping system to drain fluids. Even though the pipes used have been well designed, the use of pipes as a means of fluid transportation still provides the possibility of failure that can occur at any time, one of which is due to uniform corrosion. The use of standard Risk Based Inspection (RBI) according to the API RBI 581 document has been widely used to anticipate potential failures to pipe components. The use of standard RBI can reduce the risk of failure significantly. Because the standard RBI considers the component risk value to …


Investigating Features And Output Correlation Coefficient Of Natural Fiber-Reinforced Poly(Lactic Acid) Biocomposites, Andreas Federico, Siti Norasmah Surip, Wan Nor Raihan Wan Jaafar, Jaka Fajar Fatriansyah, Agrin Febrian Pradana Aug 2022

Investigating Features And Output Correlation Coefficient Of Natural Fiber-Reinforced Poly(Lactic Acid) Biocomposites, Andreas Federico, Siti Norasmah Surip, Wan Nor Raihan Wan Jaafar, Jaka Fajar Fatriansyah, Agrin Febrian Pradana

Journal of Materials Exploration and Findings (JMEF)

Polylactic acid (PLA) material has the potential to be applied in various industrial fields, but this material has shortcomings in terms of mechanical properties, especially mechanical strength, due to brittleness nature of PLA. The manufacture of PLA composite material with the addition of natural fibers as a reinforcing phase is one of the methods to increase the impact strength and maintain the biodegradable properties of the material. However, in theory, there are many factors that affect the mechanical properties of composite materials, thus making the mechanical properties of composites more complex than monolithic materials. The mechanical properties of these composite …


Preface Of Volume 1 Issue 1 On Journal Of Materials Exploration And Findings (Jmef), Jaka Fajar Fatriansyah Aug 2022

Preface Of Volume 1 Issue 1 On Journal Of Materials Exploration And Findings (Jmef), Jaka Fajar Fatriansyah

Journal of Materials Exploration and Findings (JMEF)

No abstract provided.


The Optimization Of Failure Risk Estimation On The Uniform Corrosion Rate With A Non-Linear Function, Fernanda Hartoyo, Jaka Fajar Fatriansyah, Imam Abdillah Mas'ud, Farhan Rama Digita, Hanna Ovelia, Datu Rizal Asral Aug 2022

The Optimization Of Failure Risk Estimation On The Uniform Corrosion Rate With A Non-Linear Function, Fernanda Hartoyo, Jaka Fajar Fatriansyah, Imam Abdillah Mas'ud, Farhan Rama Digita, Hanna Ovelia, Datu Rizal Asral

Journal of Materials Exploration and Findings (JMEF)

Failures in the oil and gas pipeline system are conditions that must be avoided and anticipated because the losses due to the failures can occur at a very high level. Internal corrosion is one of the significant causes of the failures in pipeline systems. In addition, this type of corrosion is due to the high content of carbon dioxide and other corrosive substances in crude oil and natural gas. Therefore, an optimal inspection scheduling system is required to prevent the possibility of pipeline failures due to corrosion and to avoid any overspending on the budget due to excessive inspection scheduling. …


Contents, Jaka Fajar Fatriansyah Aug 2022

Contents, Jaka Fajar Fatriansyah

Journal of Materials Exploration and Findings (JMEF)

No abstract provided.


Direct Calculation Of Configurational Entropy: Pair Correlation Functions And Disorder, Clifton C. Sluss Aug 2022

Direct Calculation Of Configurational Entropy: Pair Correlation Functions And Disorder, Clifton C. Sluss

Doctoral Dissertations

Techniques such as classical molecular dynamics [MD] simulation provide ready access to the thermodynamic data of model material systems. However, the calculation of the Helmholtz and Gibbs free energies remains a difficult task due to the tedious nature of extracting accurate values of the excess entropy from MD simulation data. Thermodynamic integration, a common technique for the calculation of entropy requires numerous simulations across a range of temperatures. Alternative approaches to the direct calculation of entropy based on functionals of pair correlation functions [PCF] have been developed over the years. This work builds upon the functional approach tradition by extending …


Quantum-Mechanical Evaluation Of Defects In Uranium-Bearing Materials, Megan Hoover Aug 2022

Quantum-Mechanical Evaluation Of Defects In Uranium-Bearing Materials, Megan Hoover

All Dissertations

Quantum-mechanical calculations using density functional theory with the generalized gradient approximation were employed to investigate the effects dopants have on the uranium dioxide (UO2) structure. Uraninite is a common U4+ mineral in the Earth's crust and an important material used to produce energy and medical isotopes. Though the incorporation mechanism remains unclear, divalent cations are known to incorporate into the uranium dioxide system. Three charge-balancing mechanisms were evaluated to achieve a net neutral system, including the substitution of (1) a divalent cation for a tetravalent uranium atom and oxygen atom; (2) two divalent cations for a tetravalent …


Dynamic Response Of Elastic Two-Story Steel Moment Frame Scaled Structure Equipped With Viscous Dampers, Garrett L. Barker, Alexander L. Poirier Jun 2022

Dynamic Response Of Elastic Two-Story Steel Moment Frame Scaled Structure Equipped With Viscous Dampers, Garrett L. Barker, Alexander L. Poirier

Architectural Engineering

The authors of this report are Architectural Engineering undergraduate students at California Polytechnic State University, San Luis Obispo. Damping is a complex, experimentally derived value that is affected by many structural properties and has a profound effect on the dynamic response of structures. Deducing the inherent damping of a steel moment frame and affecting the damping ratio with viscous dampers are two topics explored in this paper. Dampers are commonly implemented in resilient structures that perform better in a design basis earthquake, reducing the seismic cost and downtime. Undergraduate coursework does not delve into the factors that affect damping and …


Finite-Difference-Time-Domain Simulation Of Ultrafast Experiments, Alpha Ma May 2022

Finite-Difference-Time-Domain Simulation Of Ultrafast Experiments, Alpha Ma

Macalester Journal of Physics and Astronomy

The Finite-Difference-Time-Domain (FDTD) method is a numerical method that calculates electric fields or magnetic fields by interleaving them in space and time. Using a python package called “MEEP”, I was able to write optical simulations of ultrafast experiments, especially the Terahertz Pump-Probe experiments. The goal of this project was to use FDTD simulation to measure the transmission of an electro-magnetic pulse passing through a thin film of conducting material on a dielectric substrate in order to study the characteristic conductivity of potential solar cell materials.


Development And Evaluation Of Modeling Approaches For Extrusion-Based Additive Manufacturing Of Thermoplastics, Christopher C. Bock May 2022

Development And Evaluation Of Modeling Approaches For Extrusion-Based Additive Manufacturing Of Thermoplastics, Christopher C. Bock

Electronic Theses and Dissertations

This work focuses on evaluating different modeling approaches and model parameters for thermoplastic AM, with the goal of informing more efficient and effective modeling approaches. First, different modeling approaches were tested and compared to experiments. From this it was found that all three of the modeling approaches provide comparable results and provide similar results to experiments. Then one of the modeling approaches was tested on large scale geometries, and it was found that the model results matched experiments closely. Then the effect of different material properties was evaluated, this was done by performing a fractional factorial design of experiments where …


Method Of Embedded Imperfections For The Direct Simulation Of Deformation Instabilities In Film-Substrate Structures, Siavash Nikravesh Kazeroni Apr 2022

Method Of Embedded Imperfections For The Direct Simulation Of Deformation Instabilities In Film-Substrate Structures, Siavash Nikravesh Kazeroni

Mechanical Engineering ETDs

In this dissertation, a novel finite-element methodology called “embedded imperfections” is proposed and employed for computationally simulating various types of deformation instabilities observed in film-substrate structures subjected to mechanical loading. The approach involves the incorporation of elements having distinctive material properties within the film-substrate interface. One can interpret this practice as a deliberate distribution of material defects within the numerical model. It has been shown that embedded imperfections not only can trigger the onset of instability, but also can lead to “direct” simulation of deformation instability problems in that primary and subsequent instability modes can all be captured in a …


Thermoelectric Transport In Disordered Organic And Inorganic Semiconductors, Meenakshi Upadhyaya Jul 2021

Thermoelectric Transport In Disordered Organic And Inorganic Semiconductors, Meenakshi Upadhyaya

Doctoral Dissertations

The need for alternative energy sources has led to extensive research on optimizing the conversion efficiency of thermoelectric (TE) materials. TE efficiency is governed by figure-of-merit (ZT) and it has been an enormously challenging task to increase ZT > 1 despite decades of research due to the interdependence of material properties. Most doped inorganic semiconductors have a high electrical conductivity and moderate Seebeck coefficient, but ZT is still limited by their high lattice thermal conductivity. One approach to address this problem is to decrease thermal conductivity by means of alloying and nanostructuring, another is to consider materials with an inherently low …


Computational Design Of Nonlinear Stress-Strain Of Isotropic Materials, Askhad M.Polatov, Akhmat M. Ikramov, Daniyarbek Razmukhamedov May 2021

Computational Design Of Nonlinear Stress-Strain Of Isotropic Materials, Askhad M.Polatov, Akhmat M. Ikramov, Daniyarbek Razmukhamedov

Chemical Technology, Control and Management

The article deals with the problems of numerical modeling of nonlinear physical processes of the stress-strain state of structural elements. An elastoplastic medium of a homogeneous solid material is investigated. The results of computational experiments on the study of the process of physically nonlinear deformation of isotropic elements of three-dimensional structures with a system of one- and double-periodic spherical cavities under uniaxial compression are presented. The influence and mutual influence of stress concentrators in the form of spherical cavities, vertically located two cavities and a horizontally located system of two cavities on the deformation of the structure are investigated. Numerical …


Laboratory Testing And Mechanistic Analysis Of Treated Subgrade Soils, Hari Kumar Reddy Yarrapureddi Dec 2020

Laboratory Testing And Mechanistic Analysis Of Treated Subgrade Soils, Hari Kumar Reddy Yarrapureddi

Civil Engineering Theses

Calcium-based stabilizing agents such as cement and lime have been extensively used to improve the engineering properties of base and subgrade layers of pavement systems. Recently, polymers and chemical stabilizers have become popular due to cost efficiency, ease of application, and fast curing times. In this study, California Bearing Ratio (CBR) values of polymer and chemical treated soils were compared with the CBR values of soils treated with conventional stabilizers. Parametric sensitivity analyses was carried out on key parameters including the type of subgrade soil, stabilizing agent, stabilizing agent treatment levels, and moisture conditioning. Additionally, numerical analyses was performed to …


Machine Learning Prediction Of Mechanical And Durability Properties Of Recycled Aggregates Concrete, Itzel Rosalia Nunez Vargas Oct 2020

Machine Learning Prediction Of Mechanical And Durability Properties Of Recycled Aggregates Concrete, Itzel Rosalia Nunez Vargas

Electronic Thesis and Dissertation Repository

Whilst recycled aggregate (RA) can alleviate the environmental footprint of concrete production and the landfilling of colossal amounts of demolition waste, there need for robust predictive tools for its effects on mechanical and durability properties. In this thesis, state-of-the-art machine learning (ML) models were deployed to predict properties of recycled aggregate concrete (RAC). A systematic review was performed to analyze pertinent ML techniques previously applied in the concrete technology field. Accordingly, three different ML methods were selected to determine the compressive strength of RAC and perform mixture proportioning optimization. Furthermore, a gradient boosting regression tree was used to study the …


Automatic Delamination Segmentation For Bridge Deck Based On Encoder-Decoder Deep Learning Through Uav-Based Thermography, Chongsheng, Zhexiong Shang, Zhigang Shen Jun 2020

Automatic Delamination Segmentation For Bridge Deck Based On Encoder-Decoder Deep Learning Through Uav-Based Thermography, Chongsheng, Zhexiong Shang, Zhigang Shen

Department of Construction Engineering and Management: Faculty Publications

Concrete deck delamination often demonstrates strong variations in size, shape, and temperature distribution under the influences of outdoor weather conditions. The strong variations create challenges for pure analytical solutions in infrared image segmentation of delaminated areas. The recently developed supervised deep learning approach demonstrated the potentials in achieving automatic segmentation of RGB images. However, its effectiveness in segmenting thermal images remains under-explored. The main challenge lies in the development of specific models and the generation of a large range of labeled infrared images for training. To address this challenge, a customized deep learning model based on encoder-decoder architecture is proposed …


Multiscale Modeling Of Carbon Fibers/Graphene Nanoplatelets/Epoxy Hybrid Composites For Aerospace Applications, Hashim Al Mahmud Jan 2020

Multiscale Modeling Of Carbon Fibers/Graphene Nanoplatelets/Epoxy Hybrid Composites For Aerospace Applications, Hashim Al Mahmud

Dissertations, Master's Theses and Master's Reports

Significant research effort has been dedicated for decades to improve the mechanical properties of aerospace polymer-based composite materials. Lightweight epoxy-based composite materials have increasingly replaced the comparatively heavy and expensive metal alloys used in aeronautical and aerospace structural components. In particular, carbon fibers (CF)/graphene nanoplatelets (GNP)/epoxy hybrid composites can be used for this purpose owing to their high specific stiffness and strength. Therefore, this work has been completed to design, predict, and optimize the effective mechanical properties of CF/GNP/epoxy composite materials at different length scales using a multiscale modeling approach. The work-flow of modeling involves a first step of using …


Molecular Dynamics Simulations Of Interaction Of Dna Nucleotides And Lignin Oligomers With Small Molecules And Interfaces, Xinjie Tong Nov 2019

Molecular Dynamics Simulations Of Interaction Of Dna Nucleotides And Lignin Oligomers With Small Molecules And Interfaces, Xinjie Tong

LSU Doctoral Dissertations

Molecular dynamics (MD) simulations of interaction of DNA nucleotides with self-assembled monolayers (SAMs) provide valuable information that is critical to the development of a new DNA sequencing technique. We investigated the interactions and transport characteristics of mononucleotides moving through nanoslits with SAMs-covered surfaces. Our simulations focused on nanoslits in which the walls were composed of three different types of SAMs: methylformyl terminated, methyl terminated, and phenoxy terminated. The results demonstrated that the phenoxy terminated surfaces have the shortest required nanoslits length for nucleotides separation.

Using MD simulations, we also investigated the interaction of mono-lignin and oligo-lignols with lipid bilayers and …


Experimental And Numerical Simulation Of Split Hopkinson Pressure Bar Test On Borosilicate Glass, Mayank K. Bagaria Jan 2019

Experimental And Numerical Simulation Of Split Hopkinson Pressure Bar Test On Borosilicate Glass, Mayank K. Bagaria

Dissertations, Master's Theses and Master's Reports

This study is an extension to the design of ceramic materials component exposed to bullet impact. Owing to the brittle nature of ceramics upon bullet impact, shattered pieces behave as pellets flying with different velocities and directions, damaging surrounding components. Testing to study the behavior of ceramics under ballistic impact can be cumbersome and expensive. Modeling the set-up through Finite Element Analysis (FEA) makes it economical and easy to optimize. However, appropriately incorporating the material in modeling makes laboratory testing essential. Previous efforts have concentrated on simulating crack pattern developed during 0.22 caliber pellet impact on Borosilicate glass. A major …


Integrated Computational Materials Engineering (Icme) Investigation Of Electrical Conductivity And Thermodynamic Stability For Precipitation Strengthened Al-Zn-Zr And Al-Zn-Ni Ternary Alloys, Oladeji Fadayomi Jan 2019

Integrated Computational Materials Engineering (Icme) Investigation Of Electrical Conductivity And Thermodynamic Stability For Precipitation Strengthened Al-Zn-Zr And Al-Zn-Ni Ternary Alloys, Oladeji Fadayomi

Dissertations, Master's Theses and Master's Reports

High electrical conductivity Al-Zn-TM (TM=Transition metals) alloys with improved mechanical properties and thermal resistance are developed with an integrated computational material engineering (ICME) strategy. From a series of ab initio density functional theory (DFT) simulations assessing combinations of ternary alloys, Al-Zn-Ni and Al-Zn-Zr are determined as alloys with relatively high electrical conductivity compared to several other ternary Al alloy combinations. The zero-temperature stable structure of precipitates formed in these alloys are determined from computed enthalpy of formation as L12, with particular focus of examining the influence of Zn on stabilizing the desired L12 precipitate phase.

Scanning transmission …


Elevated Temperature Progressive Damage And Failure Of Duplex Stainless Steel, Darren P. Luke Dec 2018

Elevated Temperature Progressive Damage And Failure Of Duplex Stainless Steel, Darren P. Luke

Civil Engineering ETDs

Ductile failure of metals has been the focus of research efforts within academia and industry for many years since it is tremendously important for understanding the failure of structures under extreme loading conditions. However, limited research has been dedicated to elevated temperature ductile failure, which is critical for evaluating catastrophic events such as industrial, structural or shipping vessel fires. A detailed investigation was conducted on the structural response of Duplex Stainless Steel at elevated temperatures. The temperature dependence of elastic modulus, yield strength, ultimate strength, and ductility was measured up to 1000°C and a continuum damage plasticity model was developed. …


Experimental Tests And Numerical Simulations For Failure Investigation On Corrugated Boxes Used On Household Appliance Packaging, Diego Fernandes Rodrigues, José Carlos Pereira Sep 2018

Experimental Tests And Numerical Simulations For Failure Investigation On Corrugated Boxes Used On Household Appliance Packaging, Diego Fernandes Rodrigues, José Carlos Pereira

Journal of Applied Packaging Research

Packages made of corrugated paper are fundamental to the protection, transportation and handling of the appliance product market. During the storage and sales stages of a product, the package must resist compressive loads in different directions beyond moderate impacts. In this context, the objective of this work is to develop and implement a post-processor that allows the simultaneous analysis of two of the most common failure modes of packages made of corrugated paper: failure due to tensile or compressive stress limit, and failure due to local buckling, when the buckling of the faces of the corrugated paper between two peaks …


New Methods For Understanding And Controlling The Self-Assembly Of Reacting Systems Using Coarse-Grained Molecular Dynamics, Stephen Thomas Aug 2018

New Methods For Understanding And Controlling The Self-Assembly Of Reacting Systems Using Coarse-Grained Molecular Dynamics, Stephen Thomas

Boise State University Theses and Dissertations

This research aims at developing new computational methods to understand the molecular self-assembly of reacting systems whose complex structures depend on the thermodynamics of mixing, reaction kinetics, and diffusion kinetics. The specific reacting system examined in this study is epoxy, cured with linear chain thermoplastic tougheners whose complex microstructure is known from experiments to affect mechanical properties and to be sensitive to processing conditions. Mesoscale simulation techniques have helped to bridge the length and time scales needed to predict the microstructures of cured epoxies, but the prohibitive computational cost of simulating experimentally relevant system sizes has limited their impact. In …