<p> Traditionally, Molecular Dynamics combined with pair potential functions or the Embedded Atom Method (EAM) is applied to simulate the motion of atoms. When a defect is generated in the crystalline lattice, the equilibrium of atoms around it is destroyed. The atoms move to find a new place where the potential energy in the system is minimum, which could result in a change of the local atomic structure. This thesis introduces a new Dynamic Relaxation algorithm, which is based on explicit Finite Element Analysis, and pair or EAM potential function, to find equilibrium positions of the block of atoms containing different structural defects.</p> <p> The internal force and stiffness at the atoms (nodes) are obtained by the first and second derivatives of the potential energy functions. The convergence criterion is based on the Euclidean norm of internal force being close to zero when the potential energy is minimum. The damping ratio affects the solution path so that different damping ratios could lead to different minimum potential energy and equilibrium shapes. The choice of scaled mass of atoms, proper time step, boundary conditions and damping appropriate for the efficient and stable simulation is studied.</p> <p> A small block of atoms is used to obtain the numerical responses from a hybrid algorithm of potential energy functions and Dynamic Relaxation techniques such as repulsion and attraction in pair potential, minimum configuration, damping effects and different boundary conditions.</p> <p> The simulation using modified Dynamic Relaxation techniques is performed to the real material model with dislocation defect. The results after relaxation are in agreement with the prediction and current Molecular Dynamics simulation. Therefore, Dynamic Relaxation could be an alternative tool for atomistic simulation.</p> / Thesis / Master of Applied Science (MASc)

This thesis relates a technique for increasing the optical strength of NaCl and KCl single-crystal samples. The 1.06-μm pulsed laser damage thresholds were increased by factors as large as 4.6 for a bulk NaCl single-crystal sample. The bulk laser damage breakdown threshold (LDBT) of the crystal was measured prior to and after heat treatment at 800*C using a Nd:YAG laser operating at 1.06 μm. Bulk and surface LDBTs were also studied on samples annealed at 400° C. These samples showed differences in damage morphology on both cleaved and polished surfaces, and the cleaved surfaces had improved damage thresholds. However, neither the polished surfaces nor the bulk showed improved threshold at the lower annealing temperature.

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The purpose of this study was to gain a better understanding of the parameters affecting crack growth direction in unidirectional comµosite materials. To achieve this, the effect of anisotropy and biaxial loading on the direction of crack growth in unidirectional off-axis composite materials were investigated. Specific emphasis was placed on defining the crack tip stress field and finding a consistent criterion for predicting the direction of crack growth. Two models are presented to predict the crack tip stress field, an anisotropic elasticity solution and a singular isoparametric finite element formulation. After defining the crack tip stress field, three crack extension direction criteria, the Normal Stress Ratio, the Tensor Polynomial and the Strain Energy Density Criterion, were applied to predict the direction of crack extension. The theoretically predicted crack extension directions were then compared with experimental results. After comparison, it was determined that only the Normal Stress Ratio Criterion correctly predicts the direction of crack extension. / Master of Science

Baigiamajame darbe išnagrinėtos kompozitnės medžiagos jų charakteristikos ir ypatybės. Išnagrinėtas kompozitinių medžiagų panaudojimas aviacinių konstrukcijų gamybai.Išnagrinėti galimi defektai bei jų atsiradimo priežastis. Aptarti ultragarsinės neardomosios kontrolės principai, bei pritaikymas kompozitinių medžiagų ir konstrukcijų tyrimui. Išanalizuotos frontalinio echoskopinio vaizdo formavimo ypatybės ir jų pritaikymas medžiagos struktūrinei analizei. Išnagrinėti veiksniai įtakojantis ultragarsinio vaizdo sudarymo kokybę, bei sudaryta FVE struktūrinė schema. Sudarytas defekto atpažinimo algoritmas kurio realizavimas parodytas pasitelkiant Matlab programinį paketą. Pateikti pasiūlymai sistemos panaudojimui bei tolimesniam jos vystymui. / In this work examined composite materials, their characteristics and features. Examined the use of composite materials to aircraft structures manufacturing. Examined the potential defects and their occurrence causes. Discuss ultrasonic non-destructive control principles and applications of composite materials and structures research. We analyzed the formation of frontal acoustic scenery features and adaptability for material structural analysis. Examine the factors influencing the quality of ultrasound imaging and created structural diagram of acoustic scenery formation. Created the defect detection algorithm and demonstrated through the realization of the Matlab software package. Proposals for the use of the system and its further development.

The contributions of nonlinear absorption processes to laser-induced damage of three selected groups of transparent dielectrics were investigated. The studied materials were irradiated and non-irradiated fused silica, doped and undoped fluorozirconate glass and cubic zirconia stabilized with yttria. The laser-induced damage thresholds, prebreakdown transmission, and nonlinear absorption processes were studied for several specimens of each group. Experimental measurements were performed at wavelengths of 1064 nm and 532 nm using nanosecond and picosecond Nd:YAG laser pulses. In the irradiated fused silica and fluorozirconate glasses, we found that there is a correlation between the damage thresholds at wavelength λ and the linear absorption of the studied specimens at λ/2. In other words, the laser-induced breakdown is related to the probability of all possible two-photon transitions. The results are found to be in excellent agreement with a proposed two-photon-initiated electron avalanche breakdown model. In this model, the initial "seed" electrons for the formation of an avalanche are produced by two-photon excitations of E' centers and metallic impurity levels which are located within the bandgaps of irradiated Si02 and fluorozirconate glasses, respectively. Once the initial electrons are liberated in the conduction band, a highly absorbing plasma is formed by avalanche impact ionization. The resultant heating causes optical damage. In cubic zirconia, we present direct experimental evidence that significant energy is deposited in the samples at wavelength 532 nm prior to electron avalanche formation. The mechanism is found to be due to formation of color centers (F+ or F° centers) by the two-photon absorption process. The presence of these centers was directly shown by transmission measurements. The two-photon absorption (2PA) process was independently investigated and 2PA coefficients obtained. The accumulated effects of the induced centers on the nonlinear absorption measurements were also considered and the 2PA coefficients were measured using short pulses where this effect is negligible. At room temperature, the color centers slowly diffuse out of the irradiated region. The density of these centers was monitored as a function of time. The initial distribution of the centers was assumed to have a Gaussian profile. For this model the diffusion equation was solved exactly and the diffusion constant obtained.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / No presente trabalho, um algoritmo algébrico sequencial é utilizado para descrever a propagação de ondas acústicas ao longo de uma barra e utilizado na identificação de danos. Esse algoritmo é validado com base nos conficientes de sensibilidade dos ecos correspondentes aos diferentes cenários de danos apresentados. Na formulação do problema de identificação de dano, o campo de impedância generalizada, que minimiza o funcional definido como a distância entre o eco calculado e o eco experimental sintético é procurado. Os tempos de percurso da resposta, obtidos a partir de experimentos numéricos, são utilizados para identificar a posição, intensidade e forma do dano. Para simular dados corrompidos, diferentes níveis de ruído - variando de 30 a 0 dB - são introduzidos. O processo de identificação foi avaliado com os seguintes métodos de otimização: Otimização por Enxame de Partículas (PSO); Luus-Jaakola (LJ); Algoritmo de Colisão de Partículas (PCA); Algoritmos Genéticos (GA) e Recozimento Simulado (SA); e a hibridização desses métodos com o método determinístico de Levenberg-Marquardt. É mostrado que o processo de identificação de dano construído sobre a abordagem de propagação de ondas acústicas foi bem sucedido, mesmo para dados ruidosos altamente corrompidos. Os resultados dos casos testes são apresentados e algumas observações sobre as vantagens dos métodos determinísticos e estocásticos e sua combinação também são relatados. / In the present work, a sequential algorithm is used for describing the acoustic wave propagation along a bar and applied for damage identification purposes. The algorithm is validated based on the sensitivity coefficients of the corresponding echoes to the adressed damage scenarios. In the formulation of the damage identification problem, the generalized impedance field, that minimizes the functional defined as the distance between the calculated echo and the synthetic experimental one is sought. Time history responses, obtained from pulse-echo experiments, are used to identify damage position, severity and shape. In oder to account for noise corrupted data, different levels of signal to noise ratio - varying from 30 to 0 dB - are introduced. In the identification procedure the following optimization methods were applied: Particle Swarm Optimization (PSO); Luus-Jaakola (LJ); Particle Collision Algorithm (PCA); Genetic Algorithms (GA); and Simmulated Annealing (SA): and the hybridization of these methods with the deterministic Levenberg-Marquardt method. It is shown that the damage identification procedure built on the acoustic wave propagation approach was successful, even for highly corrupted noisy data. Test case results are presented and a few comments on the advantages of deterministic and stochastic methods and their combination are also reported.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / No presente trabalho, um algoritmo algébrico sequencial é utilizado para descrever a propagação de ondas acústicas ao longo de uma barra e utilizado na identificação de danos. Esse algoritmo é validado com base nos conficientes de sensibilidade dos ecos correspondentes aos diferentes cenários de danos apresentados. Na formulação do problema de identificação de dano, o campo de impedância generalizada, que minimiza o funcional definido como a distância entre o eco calculado e o eco experimental sintético é procurado. Os tempos de percurso da resposta, obtidos a partir de experimentos numéricos, são utilizados para identificar a posição, intensidade e forma do dano. Para simular dados corrompidos, diferentes níveis de ruído - variando de 30 a 0 dB - são introduzidos. O processo de identificação foi avaliado com os seguintes métodos de otimização: Otimização por Enxame de Partículas (PSO); Luus-Jaakola (LJ); Algoritmo de Colisão de Partículas (PCA); Algoritmos Genéticos (GA) e Recozimento Simulado (SA); e a hibridização desses métodos com o método determinístico de Levenberg-Marquardt. É mostrado que o processo de identificação de dano construído sobre a abordagem de propagação de ondas acústicas foi bem sucedido, mesmo para dados ruidosos altamente corrompidos. Os resultados dos casos testes são apresentados e algumas observações sobre as vantagens dos métodos determinísticos e estocásticos e sua combinação também são relatados. / In the present work, a sequential algorithm is used for describing the acoustic wave propagation along a bar and applied for damage identification purposes. The algorithm is validated based on the sensitivity coefficients of the corresponding echoes to the adressed damage scenarios. In the formulation of the damage identification problem, the generalized impedance field, that minimizes the functional defined as the distance between the calculated echo and the synthetic experimental one is sought. Time history responses, obtained from pulse-echo experiments, are used to identify damage position, severity and shape. In oder to account for noise corrupted data, different levels of signal to noise ratio - varying from 30 to 0 dB - are introduced. In the identification procedure the following optimization methods were applied: Particle Swarm Optimization (PSO); Luus-Jaakola (LJ); Particle Collision Algorithm (PCA); Genetic Algorithms (GA); and Simmulated Annealing (SA): and the hybridization of these methods with the deterministic Levenberg-Marquardt method. It is shown that the damage identification procedure built on the acoustic wave propagation approach was successful, even for highly corrupted noisy data. Test case results are presented and a few comments on the advantages of deterministic and stochastic methods and their combination are also reported.