华南地壳岩石弹性和变形性质的高温高压实验研究

The South continent of China lies to southeast of Eurasia block. It is an active area from the view of crust growth and continent spread and is a transition zone between continental crust and oceanic crust. The compressional wave velocities and anisotropies of typical crustal metamorphic rocks were determined at high temperature (up to 1000 ℃) and high pressure(up to 800MPa). The experimental results show that the velocities generally increase with pressure, and is unaffected by temperature up to around 550 ℃. But the velocities of all experimental samples start to drop above a temperature point. For an example, this greatly reduce the speed of wave propagation in amphibolite and serpentinite above 760 ℃ and above 550 ℃ respectively, which may be due to dehydrate of amphibole and serpentine. P-wave anisotropy coefficients of those rocks range from 2% to 10% at 800MPa and 500 ℃. The anisotropies decrease with increasing pressure at room temperature, but hardly change as function of temperature at constant 800MPa or 600MPa pressure. The average velocity of the six crustal rocks is 6.28km/s under the condition of 800MPa and 550 ℃, which is consistent with the result of deep seismic sounding data. Based on this experimental result, we deduce there may exist a lot of felsic granulites and amphibolites at the depth of 15-25km underground. With increasing temperature and pressure, the deformation behavior of the rocks undergoes from localized brittle fracture, semi-brittle deformation (cataclastic flow or semi-brittle faulting, semi-brittle flow) to homogeneous crystal-plastic flow. This transition is associated with mechanical behavior and micro-mechanism. It is very important to understanding earthquake source mechanics, the strength of the lithosphere and the style of deformation. The experiments were conducted at temperature of 600-1000 ℃, confining pressure of 500MPa, and stain rates of 10~(-4)-10~(-6) S~(-1). For fine-grained natural amphibolite, the results of experiments show that brittle faulting is major failure mode at temperature <600 ℃, but crystal-plastic deformation is dominate at temperature >800 ℃, and there is a transition with increasing temperature from sembrittle faulting to cataclastic flow and sembrittle flow at temperature of 670-750 ℃. For medium-grained natural Felsic granulite, the results of experiments show that brittle faulting is major failure mode at temperature <500 ℃, but crystal-plastic deformation is dominate at temperature >700 ℃, and there is a transition with increasing temperature from semibrittle faulting to cataclastic flow and sembrittle flow at temperature of 500-600 ℃.

大别山硬玉石英岩带中的水

The Dabie Mountains is a collisional orogenic belt between the North China and Yantze Continental plates. It is the eastern elongation of the Tongbai and Qingling orogen, and is truncated at its east end by the Tan-Lu fault. Jadeite-quartzite belt occurs in the eastern margin of UHPMB from the Dabie Mountains. Geochemical features indicate that the protoliths of the jadeite-quartzite and associated eclogite to be supracrustal rocks. The occurrence of micro-inclusions of coesite in jadeite and garnet confirmed that the continental crust can be subducted to great depth (8 0-100km) and then exhumed rapidly with its UHP mineral signature fairly preserved. Therefore, study of UHP jadeite-quartzite provides important information on subduction of continental crustal rocks and their exhumation histories, as well as the dynamics of plate tectonic processes at convergent margins. The purpose of this paper is to investigate the presence of hydrous component in the jadeite-quartzite belt, significant natural variations in the hydrous component content of UHP minerals and to discuss the role of water in petrology, geochemistry and micro-tectonic. On the basis of our previous studies, some new geological evidences have been found in the jadeite-quartzite belt by researches on petrography, mineralogy, micro-tectonic, hydrous component content of UHP minerals and combined with the study on rheology of materials using microprob, ER, TEM. By research and analysis of these phenomenona, the results obtained are as follows: 1. The existence of fluid during ultra-high pressure metamorphic process. Jadeites, omphacite, garnet, rutile, coesite and quartz from the jadeite-quartzite belt have been investigated by Fourier transform infrared spectrometer and TEM. Results show that all of these minerals contain trace amount of water which occur as hydroxyl and free-water in these minerals. The two-type hydrous components in UHP minerals are indicated stable in the mantle-depth. The results demonstrated that these ultra-high pressure metamorphic minerals, which were derived from continental crust protoliths, they could bring water into the mantle depth during the ultra-high pressure metamorphism. The clusters of water molecules within garnet are very important evidence of the existence of fluid during ultra-high pressure metamorphic process. It indicated that the metamorphic system was not "dry"during the ultra-high pressure stage. 2.The distribution of hydrous component in UHP minerals of jadeite-quartzite. The systematic distribution of hydrous components in UHP minerals are a strong indication that water in these minerals, are controlled by some factors and that the observed variations are not of a random nature. The distribution and concentration of hydrous component is not only correlated with composition of minerals, but also a function of geological environment. Therefore, the hydrous component in the minerals can not only take important part in the UHP metamorphic fluid during subduction of continental crustal rocks, but also their hydroxyl transported water molecules with decreasing pressure during their exhumation. And these water molecules can not only promote the deformation of jadeite through hydrolytic weakening, but also may be the part of the retrograde metamorphic fluid. 3.The role of water in the deformed UHP minerals. The jadeite, omphacite, garnet are strong elongated deformation in the jadeite-quartzite from the Dabie Mountains. They are (1) they are developed strong plastic deformation; (2) developed dislocation loop, dislocation wall; (3) the existence of clusters of water molecular in the garnet; and (4) the evolution of micero-tectonic from clusters of water molecular-dislocation loop in omphacite. That indicated that the water weakening controlled the mechanism of deformed minerals. Because the data presented here are not only the existence of clusters of water molecular in the garnet, but also developed strong elongation, high density of dislocation and high aspect ratios, adding microprobe data demonstrate the studied garnet crystals no compositional zoning. Therefore, this indicates that the diffusion process of the grain boundary mobility did not take place in these garnets. On the basis of above features, we consider that it can only be explained by plastic deformation of the garnets. The clusters of water molecules present in garnet was directly associated with mechanical weakening and inducing in plastic deformation of garnet by glissile dislocations. Investigate of LPO, strain analysis, TEM indicated that these clinopyroxenes developed strong elongation, high aspect ratios, and developed dislocation loop, dislocation wall and free dislocations. These indicated that the deformation mechanism of the clinopyroxenes plastically from the Dabie Mountains is dominant dislocation creep under the condition of the UHP metamorphic conditions. There are some bubbles with dislocation loops attached to them in the omphacite crystal. The bubbles attached to the dislocation loops sometimes form a string of bubble beads and some loops are often connected to one another via a common bubble. The water present in omphacite was directly associated with hydrolitic weakening and inducing in plastic deformation of omphacite by dislocations. The role of water in brittle deformation. Using microscopy, deformation has been identified as plastic deformation and brittle deformation in UHP minerals from the Dabie Mountains. The study of micro-tectonic on these minerals shows that the brittle deformation within UHP minerals was related to local stresses. The brittle deformation is interpreted as being caused by an interaction of high fluid pressure, volume changes. The hydroxyl within UHP minerals transported water molecules with decreasing pressure due to their exhumation. However, under eclogite facies conditions, the litho-static pressure is extreme, but a high fluid pressure will reduce the effective stress and make brittle deformation possible. The role of water in prograde metamorphism. Geochemical research on jadeite-quartzite and associated eclogite show that the protoliths of these rocks are supracrustal rocks. With increasing of temperature and pressure, the chlorite, biotite, muscovite was dehydrous reaction and released hydrous component during the subduction of continental lithosphere. The supracrustal rocks were transformed UHP rocks and formed UHP facies assemblage promotely by water introduction, and was retained in UHP minerals as hydrous component. The water within UHP minerals may be one of the retrograde metamorphic fluids. Petrological research on UHP rocks of jadeite-quartzite belt shows that there was existence of local fluids during early retrograde metamorphism. That are: (1) coronal textures and symplectite around relict UHP minerls crystals formed from UHP minerls by hydration reactions; (2) coronal textures of albite around ruitle; and (3) micro-fractures in jadeite or garnet were filled symplectite of Amp + PI + Mt. That indicated that the reactions of early retrograde metamorphism dependent on fluid introduction. These fluids not only promoted retrograde reaction of UHP minerals, but also were facilitate to diffuse intergranular and promote growth in minerals. Therefore, the hydrous component in the UHP minerals can not only take important part in the UHP metamorphic fluid during subduction of continental crustal rocks, but also their hydroxyl transport water molecules with decreasing pressure and may take part in the retrograde metamorphic fluid during their exhumation. 7. The role of water in geochemistry of UHP jadeite-quartzite. Geochemical research show that there are major, trace and rare earth element geochemical variations in the jadeite-quartzite from the Changpu district of Dabie Mountains, during retrograde metamorphic processes from the jadeite-quartzite--gneiss. The elements such as SiO_2、FeO、Ba、Zr、Ga、La、Ce、PTN Nd% Sm and Eu increase gradually from the jadeite-quartzite to retrograded jadeite-quartzite and to gneiss, whilst TiO_2. Na_2CK Fe2O_3、Rb、Y、Nb、Gd、Tb、Dy、Ho、Er、Tm、Yb decrease gradually. And its fO_2 keep nearly unchanged during early retrograde metamorphism, but decreased obviously during later retrograde metamorphism. These indicate that such changes are not only controlled by element transformation between mineralogical phases, but also closely relative to fluid-rock interaction in the decompression retrograde metamorphic processes.

Finite volume methods applied to the computational modelling of welding phenomena

This paper presents the computational modelling of welding phenomena within a versatile numerical framework. The framework embraces models from both the fields of computational fluid dynamics (CFD) and computational solid mechanics (CSM). With regard to the CFD modelling of the weld pool fluid dynamics, heat transfer and phase change, cell-centred finite volume (FV) methods are employed. Additionally, novel vertex-based FV methods are employed with regard to the elasto-plastic deformation associated with the CSM. The FV methods are included within an integrated modelling framework, PHYSICA, which can be readily applied to unstructured meshes. The modelling techniques are validated against a variety of reference solutions.

Fracture mechanics analysis of cracks in solder joint intermetallic compounds

The trend towards miniaturization of electronic products leads to the need for very small sized solder joints. Therefore, there is a higher reliability risk that too large a fraction of solder joints will transform into Intermetallic Compounds (IMCs) at the solder interface. In this paper, fracture mechanics study of the IMC layer for SnPb and Pb-free solder joints was carried out using finite element numerical computer modelling method. It is assumed that only one crack is present in the IMC layer. Linear Elastic Fracture Mechanics (LEFM) approach is used for parametric study of the Stress Intensity Factors (SIF, KI and KII), at the predefined crack in the IMC layer of solder butt joint tensile sample. Contrary to intuition, it is revealed that a thicker IMC layer in fact increases the reliability of solder joint for a cracked IMC. Value of KI and KII are found to decrease with the location of the crack further away from the solder interfaces while other parameters are constant. Solder thickness and strain rate were also found to have a significant influence on the SIF values. It has been found that soft solder matrix generates non-uniform plastic deformation across the solder-IMC interface near the crack tip that is responsible to obtain higher KI and KII.

Atomistic studies of interactions between the dominant lattice dislocations and γ/γ-lamellar boundaries in lamellar γ-TiAl

This paper reports on atomistic simulations of the interactions between the dominant lattice dislocations in ?-TiAl (<1 0 1] superdislocations) with all three kinds of ?/?-lamellar boundaries in polysynthetically twinned (PST) TiAl. The purpose of this study is to clarify the early stage of lamellar boundary controlled plastic deformation in PST TiAl. The interatomic interactions in our simulations are described by a bond order potential for L10-TiAl which provides a proper quantum mechanical description of the bonding. We are interested in the dislocation core geometries that the lattice produces in proximity to lamellar boundaries and the way in which these cores are affected by the elastic and atomistic effects of dislocation-lamellar boundary interaction. We study the way in which the interfaces affect the activation of ordinary dislocation and superdislocation slip inside the ?-lamellae and transfer of plastic deformation across lamellar boundaries. We find three new phenomena in the atomic-scale plasticity of PST TiAl, particularly due to elastic and atomic mismatch associated with the 60° and 120° ?/?-interfaces: (i) two new roles of the ?/?-interfaces, i.e. decomposition of superdislocations within 120° and 60° interfaces and subsequent detachment of a single ordinary dislocation and (ii) blocking of ordinary dislocations by 60° and 120° interfaces resulting in the emission of a twinning dislocation.

Force-induced activation of covalent bonds in mechanoresponsive polymeric materials

Mechanochemical transduction enables an extraordinary range of physiological processes such as the sense of touch, hearing, balance, muscle contraction, and the growth and remodelling of tissue and
bone1–6. Although biology is replete with materials systems that actively and functionally respond to mechanical stimuli, the default mechanochemical reaction of bulk polymers to large external stress is the unselective scission of covalent bonds, resulting in damage or failure7. An alternative to this degradation process is the rational molecular design of synthetic materials such that mechanical stress
favourably altersmaterial properties. A few mechanosensitive polymers with this property have been developed8–14; but their active response is mediated through non-covalent processes, which may
limit the extent to which properties can be modified and the longterm stability in structural materials. Previously, we have shown with dissolved polymer strands incorporating mechanically sensitive chemical groups—so-called mechanophores—that the directional nature of mechanical forces can selectively break and re-form covalent bonds15,16. We now demonstrate that such forceinduced covalent-bond activation can also be realized with mechanophore-linked elastomeric and glassy polymers, by using a mechanophore that changes colour as it undergoes a reversible electrocyclic ring-opening reaction under tensile stress and thus allows us to directly and locally visualize the mechanochemical reaction. We find that pronounced changes in colour and fluorescence emerge with the accumulation of plastic deformation, indicating that in these polymeric materials the transduction of mechanical force into the ring-opening reaction is an activated process. We anticipate that force activation of covalent bonds can serve as a general strategy for the development of new mechanophore building blocks that impart polymeric materials with desirable functionalities ranging from damage sensing to fully regenerative self-healing.

Constitutive model for localized Lüders-like stress-induced martensitic transformation and super-elastic behaviors of laser-welded NiTi wires

The application of the shape memory alloy NiTi in micro-electro-mechanical-systems (MEMSs) is extensive nowadays. In MEMS, complex while precise motion control is always vital. This makes the degradation of the functional properties of NiTi during cycling loading such as the appearance of residual strain become a serious problem to study, in particular for laser micro-welded NiTi in real applications. Although many experimental efforts have been put to study the mechanical properties of laser welded NiTi, surprisingly, up to the best of our understanding, there has not been attempts to quantitatively model the laser-welded NiTi under mechanical cycling in spite of the accurate prediction required in applications and the large number of constitutive models to quantify the thermo-mechanical behavior of shape memory alloys. As the first attempt to fill the gap, we employ a recent constitutive model, which describes the localized SIMT in NiTi under cyclic deformation; with suitable modifications to model the mechanical behavior of the laser welded NiTi under cyclic tension. The simulation of the model on a range of tensile cyclic deformation is consistent with the results of a series of experiments. From this, we conclude that the plastic deformation localized in the welded regions (WZ and HAZs) of the NiTi weldment can explain most of the extra amount of residual strain appearing in welded NiTi compared to the bare one. Meanwhile, contrary to common belief, we find that the ability of the weldment to memorize its transformation history, sometimes known as ‘return point memory’, still remains unchanged basically though the effective working limit of this ability reduces to within 6% deformation.

Twinning anisotropy of tantalum during nanoindentation

Unlike other BCC metals, the plastic deformation of nanocrystalline Tantalum during compression is regulated by deformation twinning. Whether or not this twinning exhibits anisotropy was investigated through simulation of displacement-controlled nanoindentation test using molecular dynamics simulation. MD data was found to correlate well with the experimental data in terms of surface topography and hardness measurements. The mechanism of the transport of material was identified due to the formation and motion of prismatic dislocations loops (edge dislocations) belonging to the 1/2<111> type and <100> type Burgers vector family. Further analysis of crystal defects using a fully automated dislocation extraction algorithm (DXA) illuminated formation and migration of twin boundaries on the (110) and (111) orientation but not on the (010) orientation and most importantly after retraction all the dislocations disappeared on the (110) orientation suggesting twinning to dominate dislocation nucleation in driving plasticity in tantalum. A significant finding was that the maximum shear stress (critical Tresca stress) in the deformation zone exceeded the theoretical shear strength of tantalum (Shear modulus/ 2π~10.03 GPa) on the (010) orientation but was lower than it on the (110) and the (111) orientations. In light to this, the conventional lore of assuming the maximum shear stress being 0.465 times the mean contact pressure was found to break down at atomic scale.

Effect of Post-weld Heat-treatment on the Stress Corrosion Cracking Behaviour of Laser-welded Shape Memory NiTi Wires in Hanks’ Solution

In this study, the stress-corrosion cracking (SCC) behaviour of laser-welded NiTi wires before and after post-weld heat-treatment (PWHT) was investigated. The samples were subjected to slow strain rate testing (SSRT) under tensile loading in Hanks’ solution at 37.5 °C (or 310.5 K) at a constant anodic potential (200 mVSCE). The current density of the samples during the SSRT was captured by a potentiostat, and used as an indicator to determine the susceptibility to SCC. Fractography was analyzed using scanning-electron microscopy (SEM). The experimental results showed that the laser-welded sample after PWHT was immune to the SCC as evidenced by the stable current density throughout the SSRT. This is attributed to the precipitation of fine and coherent nano-sized Ni4Ti3 precipitates in the welded regions (weld zone, WZ and heat-affected zone, HAZ) after PWHT, resulting in (i) enrichment of TiO2 content in the passive film and (ii) higher resistance against the local plastic deformation in the welded regions.

State detection of bond wires in IGBT modules using eddy current pulsed thermography

Insulated gate bipolar transistor (IGBT) modules are important safety critical components in electrical power systems. Bond wire lift-off, a plastic deformation between wire bond and adjacent layers of a device caused by repeated power/thermal cycles, is the most common failure mechanism in IGBT modules. For the early detection and characterization of such failures, it is important to constantly detect or monitor the health state of IGBT modules, and the state of bond wires in particular. This paper introduces eddy current pulsed thermography (ECPT), a nondestructive evaluation technique, for the state detection and characterization of bond wire lift-off in IGBT modules. After the introduction of the experimental ECPT system, numerical simulation work is reported. The presented simulations are based on the 3-D electromagnetic-thermal coupling finite-element method and analyze transient temperature distribution within the bond wires. This paper illustrates the thermal patterns of bond wires using inductive heating with different wire statuses (lifted-off or well bonded) under two excitation conditions: nonuniform and uniform magnetic field excitations. Experimental results show that uniform excitation of healthy bonding wires, using a Helmholtz coil, provides the same eddy currents on each, while different eddy currents are seen on faulty wires. Both experimental and numerical results show that ECPT can be used for the detection and characterization of bond wires in power semiconductors through the analysis of the transient heating patterns of the wires. The main impact of this paper is that it is the first time electromagnetic induction thermography, so-called ECPT, has been employed on power/electronic devices. Because of its capability of contactless inspection of multiple wires in a single pass, and as such it opens a wide field of investigation in power/electronic devices for failure detection, performance characterization, and health monitoring. 

Les techniques du dinandier: formes et fonction des outils lithiques spécifiques à la déformation plastique des métaux

In recent years, the proliferation of discoveries has enabled studies of stone tools used in metal working to develop. The increasing number of tools, made mostly from Neolithic polished axes, reveals a typological and functional diversity that remained largely unsuspected. This diversity is an opportunity to understand the tools and address the technical issues relating to the plastic deformation of metals. The operations that are represented here demonstrate the techniques used by coppersmiths with specialised tools.

Asymmetric rolling of 5182 aluminium alloy and interstitial free steel sheets

This Ph.D. research focuses on asymmetric rolling (ASR), as an alternative method for improving mechanical responses of aluminium-magnesium alloy and interstitial free (IF) steel regarding industrial requirements. Aluminium alloys are attractive materials in various industries due to their appropriate properties such as low density and corrosion resistance; however, their low formability has limited their applications. As formability of aluminium alloys can be improved through texture development, part of this dissertation is dedicated to producing the desired crystallographic texture with the ASR process. Two types of ASR (i.e. reverse and continuous asymmetric rolling) were investigated. The impact of shear deformation imposed by ASR processes on developing the desirable texture and consequently on mechanical behaviours was observed. The developed shear texture increased the normal and also planar anisotropy. Texture evolution during plastic deformation as well as induced mechanical behaviour were simulated using the “self-consistent” and Taylor models. Interstitial free (IF) steel was the second material selected in this dissertation. Since IF steel is one of the most often used materials in automotive industries it was chosen to investigate the effect of shear deformation through ASR on its properties. Two types of reverse and continuous asymmetric rolling were carried out to deform IF steel sheets. The results of optical microscopy and atomic force microscopy observations showed no significant difference between the grains’ morphology of asymmetric and conventionally rolled samples, whereas the obtained results of transmission electron microscopy indicated that fine and equiaxed dislocation cells were formed through the asymmetric rolling process. This structure is due to imposed shear deformation during the ASR process. Furthermore, the mechanical behaviour of deformed and annealed sheets was evaluated through uniaxial tensile tests. Results showed that at low thickness reductions (18%) the asymmetric rolled sample presented higher stress than that of the conventionally rolled sheet; while for higher thickness reductions (60%) the trend was reversed. The texture analyses indicated that intense rolling texture components which developed through 60% thickness reduction of conventional rolling cause a relatively higher stress; on the contrary the fine structure resulting from ASR appears to be the source of higher stress observed after pre-deformation of 18%.

Mécanismes de déformation de nanoparticules d’Au par irradiation ionique

Résumé Dans la présente thèse, nous avons étudié la déformation anisotrope par bombardement ionique de nanoparticules d'or intégrées dans une matrice de silice amorphe ou d'arséniure d’aluminium cristallin. On s’est intéressé à la compréhension du mécanisme responsable de cette déformation pour lever toute ambigüité quant à l’explication de ce phénomène et pour avoir une interprétation consistante et unique. Un procédé hybride combinant la pulvérisation et le dépôt chimique en phase vapeur assisté par plasma a été utilisé pour la fabrication de couches nanocomposites Au/SiO2 sur des substrats de silice fondue. Des structures à couches simples et multiples ont été obtenues. Le chauffage pendant ou après le dépôt active l’agglomération des atomes d’Au et par conséquent favorise la croissance des nanoparticules. Les nanocomposites Au/AlAs ont été obtenus par implantation ionique de couches d’AlAs suivie de recuit thermique rapide. Les échantillons des deux nanocomposites refroidis avec de l’azote liquide ont été irradiés avec des faisceaux de Cu, de Si, d’Au ou d’In d’énergie allant de 2 à 40 MeV, aux fluences s'étendant de 1×1013 à 4×1015 ions/cm2, en utilisant le Tandem ou le Tandetron. Les propriétés structurales et morphologiques du nanocomposite Au/SiO2 sont extraites en utilisant des techniques optiques car la fréquence et la largeur de la résonance plasmon de surface dépendent de la forme et de la taille des nanoparticules, de leur concentration et de la distance qui les séparent ainsi que des propriétés diélectriques du matériau dans lequel les particules sont intégrées. La cristallinité de l’arséniure d’aluminium est étudiée par deux techniques: spectroscopie Raman et spectrométrie de rétrodiffusion Rutherford en mode canalisation (RBS/canalisation). La quantité d’Au dans les couches nanocomposites est déduite des résultats RBS. La distribution de taille et l’étude de la transformation de forme des nanoparticules métalliques dans les deux nanocomposites sont déterminées par microscopie électronique en transmission. Les résultats obtenus dans le cadre de ce travail ont fait l’objet de trois articles de revue. La première publication montre la possibilité de manipuler la position spectrale et la largeur de la bande d’absorption des nanoparticules d’or dans les nanocomposites Au/SiO2 en modifiant leur structure (forme, taille et distance entre particules). Les nanoparticules d’Au obtenues sont presque sphériques. La bande d’absorption plasmon de surface (PS) correspondante aux particules distantes est située à 520 nm. Lorsque la distance entre les particules est réduite, l’interaction dipolaire augmente ce qui élargit la bande de PS et la déplace vers le rouge (602 nm). Après irradiation ionique, les nanoparticules sphériques se transforment en ellipsoïdes alignés suivant la direction du faisceau. La bande d’absorption se divise en deux bandes : transversale et longitudinale. La bande correspondante au petit axe (transversale) est décalée vers le bleu et celle correspondante au grand axe (longitudinale) est décalée vers le rouge indiquant l’élongation des particules d’Au dans la direction du faisceau. Le deuxième article est consacré au rôle crucial de la déformation plastique de la matrice et à l’importance de la mobilité des atomes métalliques dans la déformation anisotrope des nanoparticules d’Au dans les nanocomposites Au/SiO2. Nos mesures montrent qu'une valeur seuil de 2 keV/nm (dans le pouvoir d'arrêt électronique) est nécessaire pour la déformation des nanoparticules d'or. Cette valeur est proche de celle requise pour la déformation de la silice. La mobilité des atomes d’Au lors du passage d’ions est confirmée par le calcul de la température dans les traces ioniques. Le troisième papier traite la tentative de formation et de déformation des nanoparticules d’Au dans une matrice d’arséniure d’aluminium cristallin connue pour sa haute résistance à l’amorphisation et à la déformation sous bombardement ionique. Le résultat principal de ce dernier article confirme le rôle essentiel de la matrice. Il s'avère que la déformation anisotrope du matériau environnant est indispensable pour la déformation des nanoparticules d’or. Les résultats expérimentaux mentionnés ci-haut et les calculs de températures dans les traces ioniques nous ont permis de proposer le scénario de déformation anisotrope des nanoparticules d’Au dans le nanocomposite Au/SiO2 suivant: - Chaque ion traversant la silice fait fondre brièvement un cylindre étroit autour de sa trajectoire formant ainsi une trace latente. Ceci a été confirmé par la valeur seuil du pouvoir d’arrêt électronique. - L’effet cumulatif des impacts de plusieurs ions conduit à la croissance anisotrope de la silice qui se contracte dans la direction du faisceau et s’allonge dans la direction perpendiculaire. Le modèle de chevauchement des traces ioniques (overlap en anglais) a été utilisé pour valider ce phénomène. - La déformation de la silice génère des contraintes qui agissent sur les nanoparticules dans les plans perpendiculaires à la trajectoire de l’ion. Afin d’accommoder ces contraintes les nanoparticules d’Au se déforment dans la direction du faisceau. - La déformation de l’or se produit lorsqu’il est traversé par un ion induisant la fusion d’un cylindre autour de sa trajectoire. La mobilité des atomes d’or a été confirmée par le calcul de la température équivalente à l’énergie déposée dans le matériau par les ions incidents. Le scénario ci-haut est compatible avec nos données expérimentales obtenues dans le cas du nanocomposite Au/SiO2. Il est appuyé par le fait que les nanoparticules d’Au ne se déforment pas lorsqu’elles sont intégrées dans l’AlAs résistant à la déformation.

Ablation laser femtoseconde de verres métalliques de Cu_x Zr_(1−x) : une étude par dynamique moléculaire

L’ablation laser de verres métalliques de CuxZr1−x (x = 0.33, 0.50 et 0.67) et d’un alliage métallique cristallin de CuZr2 dans la structure C11b a été étudiée par dynamique moléculaire (DM) combinée à un modèle à deux températures (TTM). Le seuil d’ablation (Fth) a été déterminé pour chacun des 4 échantillons et s'est avéré plus bas pour les échantillons plus riches en Cu étant donné que la cohésion du Cu est plus faible que celle du Zr dans tous les échantillons. Pour x=0.33, Fth est plus bas pour le cristal que pour l’amorphe car le couplage électron-phonon est plus faible dans ce dernier, ce qui implique que l’énergie est transférée plus lentement du système électronique vers le système ionique pour le a-CuZr2 que le c-CuZr2. La vitesse de l’onde de pression créée par l’impact du laser croît avec la fluence dans l’échantillon cristallin, contrairement aux échantillons amorphes dans lesquels sa vitesse moyenne est relativement constante avec la fluence. Ceci est expliqué par le fait que le module de cisaillement croît avec la pression pour le cristal, ce qui n’est pas le cas pour les verres métalliques étudiés. Finalement, la zone affectée par la chaleur (HAZ) a été étudiée via la profondeur de fusion et les déformations plastiques. La plus faible température de fusion des échantillons amorphes implique que la profondeur de fusion est plus importante dans ceux-ci que dans l’échantillon cristallin. Dans les verres métalliques, les déformations plastiques ont été identifiées sous forme de zones de transformation par cisaillement (STZ) qui diffusent et fusionnent à plus haute fluence. Aucune déformation plastique importante n’a été identifiée dans le c-CuZr2 mis à part de légères déformations près du front de fusion causées par les contraintes résiduelles. Ce travail a ainsi permis d’améliorer notre compréhension de l’ablation laser sur les verres métalliques et de l’étendue des dommages qu’elle peut entraîner.

Growth and characterisation of certain organic crystals

The thesis presents the results of the investigations on the crystallisation ‘behaviour, detect structure end electrical properties of certain organic crystals---phthslic snhydride end potsssiun scid phthalate Hollow crystals of phthalic snhydride were grown from vapour. the norpholog of these hollow crystals were studied in detail and s. mechanism for their growth has been proposed. A closed crystal—vapour system was used to study the basal plane growth of the whiskers and the sequential growth, observed, confirmed the mechanism suggested for hollow crystals. The dendritic crystals of phthslic enhydride were grown, both iron the melt and solution. The observed morphologies of these dendrites ere described. Bpherulites of phthalic anhydride have been grown by the artificial initiation of nucleation, from melt and solution. The variation of the substructure oi’ these spherulites with the growth tenperature wee investigated. The spherulitic filll having ribbon substructure were etched to reveal dislocations. A mechanism for the formation of the observed etch pattern has been suggested. the slip occurring in these ribbons were studied and the results are presented