Nanopartículas magnéticas de 'FE''CO'@'AU': preparação, caracterização e funcionalização com complexo de 'RU'(II) luminescente

Pós-graduação em Química - IQ

Development and test of resistive superconducting fault current limiter; acting time and its recovery conditions

Resistive-type of superconducting fault current limiters (RSFCL) have been developed for medium voltage class aiming to operate at 1 MVA power capacity and short time recovery (< 2 s). A RSFCL in form of superconducting modular device was designed and constructed using 50 m-length of YBCO coated conductor tapes for operation under 1 kV / 1 kA and acting time of 0.1 s. In order to increase the acting time the RSFCL was combined with an air-core reactor in parallel to increase the fault limiting time up to 1 s. The tests determined the electrical and thermal characteristics of the combined resistive/ inductive protection unit. The combined fault current limiter reached a limiting current of 583 A, corresponding to a limiting factor of 3.3 times within an acting time of up to 1 s.

Moving from surfactant-stabilized aqueous rhodium (0) colloidal suspension to heterogeneous magnetite-supported rhodium nanocatalysts: Synthesis, characterization and catalytic performance in hydrogenation reactions

Wet impregnation of pre-synthesized surfactant-stabilized aqueous rhodium (0) colloidal suspension on silica was employed in order to prepare supported Rh-0 nanoparticles of well-defined composition, morphology and size. A magnetic core-shell support of silica (Fe(3)O4@SiO2) was used to increase the handling properties of the obtained nanoheterogeneous catalyst. The nanocomposite catalyst Fe3O4@SiO2-Rh-0 NPs was highly active in the solventless hydrogenation of model olefins and aromatic substrates under mild conditions with turnover frequencies up to 143,000 h(-1). The catalyst was characterized by various transmission electron microscopy techniques showing well-dispersed rhodium nanoparticles (similar to 3 nm) mainly located at the periphery of the silica coating. The heterogeneous magnetite-supported nanocatalyst was investigated in the hydrogenation of cyclohexene and compared to the previous surfactant-stabilized aqueous Rh-0 colloidal suspension and various silica-supported Rh-0 nanoparticles. Finally, the composite catalyst could be reused in several runs after magnetic separation. (C) 2011 Elsevier B. V. All rights reserved.

Finite Element Analysis Model of a Contactless Transformer for Battery Chargers in Electric Vehicles

A contactless transformer model is proposed in this paper using Finite Element Analysis (FEA). This model can be used to simulate Inductive Coupling Power Transfer (ICPT) systems with good accuracy of the transformer and reduce the fabrication time of these systems. The model not only takes into account the geometry of the windings but also the frequency effects in them. As the transformer does not have a magnetic core, it is complicated to model because the flux is expanded in the area around the windings. In order to obtain a very accurate model, it is necessary to use a 2D/3D field solver.

Multiple Input-Output Bidirectional Solid State Transformer Based on a Series Resonant Converter

Las fuentes de alimentación de modo conmutado (SMPS en sus siglas en inglés) se utilizan ampliamente en una gran variedad de aplicaciones. La tarea más difícil para los diseñadores de SMPS consiste en lograr simultáneamente la operación del convertidor con alto rendimiento y alta densidad de energía. El tamaño y el peso de un convertidor de potencia está dominado por los componentes pasivos, ya que estos elementos son normalmente más grandes y más pesados que otros elementos en el circuito. Para una potencia de salida dada, la cantidad de energía almacenada en el convertidor que ha de ser entregada a la carga en cada ciclo de conmutación, es inversamente proporcional a la frecuencia de conmutación del convertidor. Por lo tanto, el aumento de la frecuencia de conmutación se considera un medio para lograr soluciones más compactas con los niveles de densidad de potencia más altos. La importancia de investigar en el rango de alta frecuencia de conmutación radica en todos los beneficios que se pueden lograr: además de la reducción en el tamaño de los componentes pasivos, el aumento de la frecuencia de conmutación puede mejorar significativamente prestaciones dinámicas de convertidores de potencia. Almacenamiento de energía pequeña y el período de conmutación corto conducen a una respuesta transitoria del convertidor más rápida en presencia de las variaciones de la tensión de entrada o de la carga. Las limitaciones más importantes del incremento de la frecuencia de conmutación se relacionan con mayores pérdidas del núcleo magnético convencional, así como las pérdidas de los devanados debido a los efectos pelicular y proximidad. También, un problema potencial es el aumento de los efectos de los elementos parásitos de los componentes magnéticos - inductancia de dispersión y la capacidad entre los devanados - que causan pérdidas adicionales debido a las corrientes no deseadas. Otro factor limitante supone el incremento de las pérdidas de conmutación y el aumento de la influencia de los elementos parásitos (pistas de circuitos impresos, interconexiones y empaquetado) en el comportamiento del circuito. El uso de topologías resonantes puede abordar estos problemas mediante el uso de las técnicas de conmutaciones suaves para reducir las pérdidas de conmutación incorporando los parásitos en los elementos del circuito. Sin embargo, las mejoras de rendimiento se reducen significativamente debido a las corrientes circulantes cuando el convertidor opera fuera de las condiciones de funcionamiento nominales. A medida que la tensión de entrada o la carga cambian las corrientes circulantes incrementan en comparación con aquellos en condiciones de funcionamiento nominales. Se pueden obtener muchos beneficios potenciales de la operación de convertidores resonantes a más alta frecuencia si se emplean en aplicaciones con condiciones de tensión de entrada favorables como las que se encuentran en las arquitecturas de potencia distribuidas. La regulación de la carga y en particular la regulación de la tensión de entrada reducen tanto la densidad de potencia del convertidor como el rendimiento. Debido a la relativamente constante tensión de bus que se encuentra en arquitecturas de potencia distribuidas los convertidores resonantes son adecuados para el uso en convertidores de tipo bus (transformadores cc/cc de estado sólido). En el mercado ya están disponibles productos comerciales de transformadores cc/cc de dos puertos que tienen muy alta densidad de potencia y alto rendimiento se basan en convertidor resonante serie que opera justo en la frecuencia de resonancia y en el orden de los megahercios. Sin embargo, las mejoras futuras en el rendimiento de las arquitecturas de potencia se esperan que vengan del uso de dos o más buses de distribución de baja tensión en vez de una sola. Teniendo eso en cuenta, el objetivo principal de esta tesis es aplicar el concepto del convertidor resonante serie que funciona en su punto óptimo en un nuevo transformador cc/cc bidireccional de puertos múltiples para atender las necesidades futuras de las arquitecturas de potencia. El nuevo transformador cc/cc bidireccional de puertos múltiples se basa en la topología de convertidor resonante serie y reduce a sólo uno el número de componentes magnéticos. Conmutaciones suaves de los interruptores hacen que sea posible la operación en las altas frecuencias de conmutación para alcanzar altas densidades de potencia. Los problemas posibles con respecto a inductancias parásitas se eliminan, ya que se absorben en los Resumen elementos del circuito. El convertidor se caracteriza con una muy buena regulación de la carga propia y cruzada debido a sus pequeñas impedancias de salida intrínsecas. El transformador cc/cc de puertos múltiples opera a una frecuencia de conmutación fija y sin regulación de la tensión de entrada. En esta tesis se analiza de forma teórica y en profundidad el funcionamiento y el diseño de la topología y del transformador, modelándolos en detalle para poder optimizar su diseño. Los resultados experimentales obtenidos se corresponden con gran exactitud a aquellos proporcionados por los modelos. El efecto de los elementos parásitos son críticos y afectan a diferentes aspectos del convertidor, regulación de la tensión de salida, pérdidas de conducción, regulación cruzada, etc. También se obtienen los criterios de diseño para seleccionar los valores de los condensadores de resonancia para lograr diferentes objetivos de diseño, tales como pérdidas de conducción mínimas, la eliminación de la regulación cruzada o conmutación en apagado con corriente cero en plena carga de todos los puentes secundarios. Las conmutaciones en encendido con tensión cero en todos los interruptores se consiguen ajustando el entrehierro para obtener una inductancia magnetizante finita en el transformador. Se propone, además, un cambio en los señales de disparo para conseguir que la operación con conmutaciones en apagado con corriente cero de todos los puentes secundarios sea independiente de la variación de la carga y de las tolerancias de los condensadores resonantes. La viabilidad de la topología propuesta se verifica a través una extensa tarea de simulación y el trabajo experimental. La optimización del diseño del transformador de alta frecuencia también se aborda en este trabajo, ya que es el componente más voluminoso en el convertidor. El impacto de de la duración del tiempo muerto y el tamaño del entrehierro en el rendimiento del convertidor se analizan en un ejemplo de diseño de transformador cc/cc de tres puertos y cientos de vatios de potencia. En la parte final de esta investigación se considera la implementación y el análisis de las prestaciones de un transformador cc/cc de cuatro puertos para una aplicación de muy baja tensión y de decenas de vatios de potencia, y sin requisitos de aislamiento. Abstract Recently, switch mode power supplies (SMPS) have been used in a great variety of applications. The most challenging issue for designers of SMPS is to achieve simultaneously high efficiency operation at high power density. The size and weight of a power converter is dominated by the passive components since these elements are normally larger and heavier than other elements in the circuit. If the output power is constant, the stored amount of energy in the converter which is to be delivered to the load in each switching cycle is inversely proportional to the converter’s switching frequency. Therefore, increasing the switching frequency is considered a mean to achieve more compact solutions at higher power density levels. The importance of investigation in high switching frequency range comes from all the benefits that can be achieved. Besides the reduction in size of passive components, increasing switching frequency can significantly improve dynamic performances of power converters. Small energy storage and short switching period lead to faster transient response of the converter against the input voltage and load variations. The most important limitations for pushing up the switching frequency are related to increased conventional magnetic core loss as well as the winding loss due to the skin and proximity effect. A potential problem is also increased magnetic parasitics – leakage inductance and capacitance between the windings – that cause additional loss due to unwanted currents. Higher switching loss and the increased influence of printed circuit boards, interconnections and packaging on circuit behavior is another limiting factor. Resonant power conversion can address these problems by using soft switching techniques to reduce switching loss incorporating the parasitics into the circuit elements. However the performance gains are significantly reduced due to the circulating currents when the converter operates out of the nominal operating conditions. As the input voltage or the load change the circulating currents become higher comparing to those ones at nominal operating conditions. Multiple Input-Output Many potential gains from operating resonant converters at higher switching frequency can be obtained if they are employed in applications with favorable input voltage conditions such as those found in distributed power architectures. Load and particularly input voltage regulation reduce a converter’s power density and efficiency. Due to a relatively constant bus voltage in distributed power architectures the resonant converters are suitable for bus voltage conversion (dc/dc or solid state transformation). Unregulated two port dc/dc transformer products achieving very high power density and efficiency figures are based on series resonant converter operating just at the resonant frequency and operating in the megahertz range are already available in the market. However, further efficiency improvements of power architectures are expected to come from using two or more separate low voltage distribution buses instead of a single one. The principal objective of this dissertation is to implement the concept of the series resonant converter operating at its optimum point into a novel bidirectional multiple port dc/dc transformer to address the future needs of power architectures. The new multiple port dc/dc transformer is based on a series resonant converter topology and reduces to only one the number of magnetic components. Soft switching commutations make possible high switching frequencies to be adopted and high power densities to be achieved. Possible problems regarding stray inductances are eliminated since they are absorbed into the circuit elements. The converter features very good inherent load and cross regulation due to the small output impedances. The proposed multiple port dc/dc transformer operates at fixed switching frequency without line regulation. Extensive theoretical analysis of the topology and modeling in details are provided in order to compare with the experimental results. The relationships that show how the output voltage regulation and conduction losses are affected by the circuit parasitics are derived. The methods to select the resonant capacitor values to achieve different design goals such as minimum conduction losses, elimination of cross regulation or ZCS operation at full load of all the secondary side bridges are discussed. ZVS turn-on of all the switches is achieved by relying on the finite magnetizing inductance of the Abstract transformer. A change of the driving pattern is proposed to achieve ZCS operation of all the secondary side bridges independent on load variations or resonant capacitor tolerances. The feasibility of the proposed topology is verified through extensive simulation and experimental work. The optimization of the high frequency transformer design is also addressed in this work since it is the most bulky component in the converter. The impact of dead time interval and the gap size on the overall converter efficiency is analyzed on the design example of the three port dc/dc transformer of several hundreds of watts of the output power for high voltage applications. The final part of this research considers the implementation and performance analysis of the four port dc/dc transformer in a low voltage application of tens of watts of the output power and without isolation requirements.

Multifunctional core–shell Co–SiO2 nanowires via electrodeposition and sol–gel techniques

In this work, we propose a new strategy for the synthesis of multifunctional nanowires using a combination of sol–gel and electrodeposition techniques, based on a two-step procedure. First of all, nanotubes of SiO2 are synthesized via a sol–gel technique using polycarbonate membranes as templates. Homogenous nanotubes are obtained after centrifugation and thermal annealing. Afterwards, a ferromagnetic cobalt core is grown using potentiostatic electrodeposition. Finally, the core–shell Co–SiO2 nanowires are released by dissolving the template using wet-etching. These nanodevices can be used for many detection and sensing purposes. As a proof of concept, we have developed a pH nanosensor by including a pH-sensitive organic dye in the SiO2 shell. The sensing principle is based on the optical response of the organic dye towards pH when added to a solution. The magnetic core allows the recovery of the nanosensors after use. These nanowires can therefore be used as recoverable pH nanosensors. By changing the dye molecule to another molecule or receptor, the procedure described in the paper can be used to synthesize nanodevices for many different applications.

Compact stellarators with modular coils

Compact stellarator designs with modular coils and only two or three field periods are now available; these designs have both good stability and quasiaxial symmetry providing adequate transport for a magnetic fusion reactor. If the bootstrap current assumes theoretically predicted values a three field period configuration is optimal, but if that net current turns out to be lower, a device with two periods and just 12 modular coils might be better. There are also attractive designs with quasihelical symmetry and four or five periods whose properties depend less on the bootstrap current. Good performance requires that there be a satisfactory magnetic well in the vacuum field, which is a property lacking in a stellarator-tokamak hybrid that has been proposed for a proof of principle experiment. In this paper, we present an analysis of stability for these configurations that is based on a mountain pass theorem asserting that, if two solutions of the problem of magnetohydrodynamic equilibrium can be found, then there has to be an unstable solution. We compare results of our theory of equilibrium, stability, and transport with recently announced measurements from the large LHD experiment in Japan.

Downdraft gasification of biomass

The objectives of this research were to investigate the parameters affecting the gasification process within downdraft gasifiers using biomass feedstocks. In addition to investigations with an open-core gasifier, a novel open-topped throated gasifier was designed and used. A sampling system was designed and installed to determine the water, tar and particular content of the raw product gas. This permitted evaluation of the effects of process parameters and reactor design on tar and particular production, although a large variation was found for the particulate measurements due to the capture of large particles. For both gasifiers, the gasification process was studied in order to identify and compare the mechanisms controlling the position and shape of the reaction zones. The stability of the reaction zone was found to be governed by the superficial gas velocity within the reactor. A superficial gas velocity below 0.2 Nms-1 resulted in a rising reaction zone in both gasifiers. Turndown is achieved when the rate of char production by flaming pyrolysis equals the rate of char gasification over a range of throughputs. A turndown ratio of 2:1 was achieved for the hybrid-throated gasifier, compared to 1.3:1 for the open-core. It is hypothesized that pyrolysis is a surface area phenomenon, and that in the hybrid gasifier the pyrolysis front can expand to form a dome-shape. The rate of char gasification is believed to increase as the depth of the gasification zone increases. Vibration of the open-core reactor bed decreased the bed pressure drop, reduced the voidage, aided solids flow and gave a minor improvement in the product gas energy content. Insulation improved the performance of both reactors by reducing heat losses resulting in a reduced air to feed ratio requirement. The hybrid gasifier gave a higher energy conversion efficiency, a higher product gas heating value, and a lower tar content than the open-core gasifier due to efficient gas mixing in a high temperature tar cracking region below the throat and reduced heat losses.

Theoretical and experimental analysis of excessively tilted fiber gratings

We have theoretically and experimentally investigated the dual-peak feature of tilted fiber gratings with excessively tilted structure (named as Ex-TFGs). We have explained the dual-peak feature by solving eigenvalue equations for TM0m and TE0m of a circular waveguide, in which the TE (transverse electric) and TM (transverse magnetic) core modes are coupled into TE and TM cladding modes, respectively. Meanwhile, in the experiment, we have verified that one of the dual peaks at the shorter wavelength is due to the TM mode coupling whereas the other one at the longer wavelength arises from TE mode coupling when a linearly polarized light launched into the Ex-TFG. We have also investigated the peak separation of TE and TM cladding mode for different surrounding medium refractive indexes (SRI), revealed that the dual peaks separation is decreasing as increasing of SRI, which agrees very well with the theoretical analysis results.

Influência da interação dipolar nas fases magnéticas de nanopartículas esféricas com estrutura núcleo@camada

Bi-magnetic core@shell nanoparticle has attracted attention several researchers because great applicability that they offer. The possibility of combining different functionalities of magnetic materials make them a key piece in many areas as in data processing permanent magnets and biomagnetics sistems. These nanoparticles are controlled by intrinsic properties of the core and shell materials as well as the interactions between them, besides size and geometry effects. Thus, it was developed in this thesis a theoretical study about dipolar interaction contribution between materials different magnetic properties in bi-magnetic core@shell nanoparticles conventional spherical geometry. The materials were analyzed CoFe2O4, MnFe2O4 e CoFe2 in various combinations and sizes. The results show that the impact of the core dipole field in the shell cause reverse magnetization early its, before of the core, in nanoparticle of CoFe2O4(22nm)@CoFe2(2nm), thereby causing a decrease coercivity field of 65% in comparection with simple nanoparticle of CoFe2O4 (HC=13.6 KOe) of same diameter. The large core anisotropy in conventional nanoparticle makes it the a stable dipolar field source in the shell, that varies length scale of the order of the core radius. Furthermore, the impact of dipolar field is greatly enhanced by the geometrical constraints and by magnetics properties of both core@shell materials. In systems with core coated with a thin shell of thickness less than the exchange length, the interaction interface can hold reversal the shell occurring an uniform magnetization reversal, however this effect only is relevant on systems where the dipole field effects is weak compared with the exchange interaction.

Influência da interação dipolar nas fases magnéticas de nanopartículas esféricas com estrutura núcleo@camada

Bi-magnetic core@shell nanoparticle has attracted attention several researchers because great applicability that they offer. The possibility of combining different functionalities of magnetic materials make them a key piece in many areas as in data processing permanent magnets and biomagnetics sistems. These nanoparticles are controlled by intrinsic properties of the core and shell materials as well as the interactions between them, besides size and geometry effects. Thus, it was developed in this thesis a theoretical study about dipolar interaction contribution between materials different magnetic properties in bi-magnetic core@shell nanoparticles conventional spherical geometry. The materials were analyzed CoFe2O4, MnFe2O4 e CoFe2 in various combinations and sizes. The results show that the impact of the core dipole field in the shell cause reverse magnetization early its, before of the core, in nanoparticle of CoFe2O4(22nm)@CoFe2(2nm), thereby causing a decrease coercivity field of 65% in comparection with simple nanoparticle of CoFe2O4 (HC=13.6 KOe) of same diameter. The large core anisotropy in conventional nanoparticle makes it the a stable dipolar field source in the shell, that varies length scale of the order of the core radius. Furthermore, the impact of dipolar field is greatly enhanced by the geometrical constraints and by magnetics properties of both core@shell materials. In systems with core coated with a thin shell of thickness less than the exchange length, the interaction interface can hold reversal the shell occurring an uniform magnetization reversal, however this effect only is relevant on systems where the dipole field effects is weak compared with the exchange interaction.

Síntese de sensores, funcionalização de nanopartículas e fibras óticas para reconhecimento de aniões

O trabalho descrito nesta dissertação envolve a síntese e caracterização de novos macrociclos tetrapirrólicos e afins com potencial aplicação como quimiossensores de aniões, tanto em solução como quando suportados em diferentes materiais. As porfirinas e ftalocianinas ocupam um lugar de destaque nesta dissertação, pelo que no primeiro capítulo, é feita uma revisão bibliográfica acerca das suas metodologias de síntese bem como das suas principais características e aplicações, nomeadamente como quimiossensores de aniões. No segundo capítulo é discutida a síntese e caracterização dos compostos porfirínicos e ftalocianinicos com grupos amina ou poliamina, posteriormente utilizados como hospedeiros de aniões. Descrevem-se, pormenorizadamente, os métodos de síntese, purificação e caracterização estrutural dos diversos compostos sintetizados. No terceiro capítulo realizaram-se os estudos de complexação com aniões em solução e determinaram-se as respetivas constantes de afinidade. Os compostos sintetizados apresentam capacidade de interagir com diferentes aniões. As porfirinas testadas apresentam elevadas constantes de afinidade para o anião di-hidrogenofosfato, mesmo em soluções aquosas quando testadas com cristais piezoelétricos. No caso das ftalocianinas verificou-se que estas interagem com vários aniões e apresentam propriedades cromogénicas, podendo mesmo distinguir aniões cianeto em soluções contendo água. No quarto capítulo estudou-se a imobilização dos quimiossensores, que demonstraram maior eficácia nos estudos de reconhecimento em solução, em diferentes materiais. Primeiro foi estudada a imobilização dos quimiossensores em nanopartículas de sílica (com e sem núcleo magnético) e testada a sua capacidade como sensor de aniões em solução. Numa segunda parte foi estudada a imobilização em fibras óticas. Estas, além das suas excecionais propriedades físico-químicas, têm a vantagem de poderem ser integradas em diferentes estruturas e/ou equipamentos de análise. Na ultima parte desta dissertação encontra-se a descrição da síntese e caracterização de novos conjugados porfirina-C60-OligoDNA com potencial aplicação em transferência eletrónica. Foram sintetizados e caracterizados novos compostos porfirina-OligoDNA e C60-OligoDNA. Esta parte do trabalho foi realizada no “Institute of Advanced Energy” na Universidade de Quioto, Japão.

High Frequency Class DE Converter Using a Multilayer Coreless PCB Transformer

In modern power electronics equipment, it is desirable to design a low profile, high power density, and fast dynamic response converter. Increases in switching frequency reduce the size of the passive components such as transformers, inductors, and capacitors which results in compact size and less requirement for the energy storage. In addition, the fast dynamic response can be achieved by operating at high frequency. However, achieving high frequency operation while keeping the efficiency high, requires new advanced devices, higher performance magnetic components, and new circuit topology. These are required to absorb and utilize the parasitic components and also to mitigate the frequency dependent losses including switching loss, gating loss, and magnetic loss. Required performance improvements can be achieved through the use of Radio Frequency (RF) design techniques. To reduce switching losses, resonant converter topologies like resonant RF amplifiers (inverters) combined with a rectifier are the effective solution to maintain high efficiency at high switching frequencies through using the techniques such as device parasitic absorption, Zero Voltage Switching (ZVS), Zero Current Switching (ZCS), and a resonant gating. Gallium Nitride (GaN) device technologies are being broadly used in RF amplifiers due to their lower on- resistance and device capacitances compared with silicon (Si) devices. Therefore, this kind of semiconductor is well suited for high frequency power converters. The major problems involved with high frequency magnetics are skin and proximity effects, increased core and copper losses, unbalanced magnetic flux distribution generating localized hot spots, and reduced coupling coefficient. In order to eliminate the magnetic core losses which play a crucial role at higher operating frequencies, a coreless PCB transformer can be used. Compared to the conventional wire-wound transformer, a planar PCB transformer in which the windings are laid on the Printed Board Circuit (PCB) has a low profile structure, excellent thermal characteristics, and ease of manufacturing. Therefore, the work in this thesis demonstrates the design and analysis of an isolated low profile class DE resonant converter operating at 10 MHz switching frequency with a nominal output of 150 W. The power stage consists of a class DE inverter using GaN devices along with a sinusoidal gate drive circuit on the primary side and a class DE rectifier on the secondary side. For obtaining the stringent height converter, isolation is provided by a 10-layered coreless PCB transformer of 1:20 turn’s ratio. It is designed and optimized using 3D Finite Element Method (FEM) tools and radio frequency (RF) circuit design software. Simulation and experimental results are presented for a 10-layered coreless PCB transformer operating in 10 MHz.

Computer simulation of multi-elemental fusion reactor materials

Thermonuclear fusion is a sustainable energy solution, in which energy is produced using similar processes as in the sun. In this technology hydrogen isotopes are fused to gain energy and consequently to produce electricity. In a fusion reactor hydrogen isotopes are confined by magnetic fields as ionized gas, the plasma. Since the core plasma is millions of degrees hot, there are special needs for the plasma-facing materials. Moreover, in the plasma the fusion of hydrogen isotopes leads to the production of high energetic neutrons which sets demanding abilities for the structural materials of the reactor. This thesis investigates the irradiation response of materials to be used in future fusion reactors. Interactions of the plasma with the reactor wall leads to the removal of surface atoms, migration of them, and formation of co-deposited layers such as tungsten carbide. Sputtering of tungsten carbide and deuterium trapping in tungsten carbide was investigated in this thesis. As the second topic the primary interaction of the neutrons in the structural material steel was examined. As model materials for steel iron chromium and iron nickel were used. This study was performed theoretically by the means of computer simulations on the atomic level. In contrast to previous studies in the field, in which simulations were limited to pure elements, in this work more complex materials were used, i.e. they were multi-elemental including two or more atom species. The results of this thesis are in the microscale. One of the results is a catalogue of atom species, which were removed from tungsten carbide by the plasma. Another result is e.g. the atomic distributions of defects in iron chromium caused by the energetic neutrons. These microscopic results are used in data bases for multiscale modelling of fusion reactor materials, which has the aim to explain the macroscopic degradation in the materials. This thesis is therefore a relevant contribution to investigate the connection of microscopic and macroscopic radiation effects, which is one objective in fusion reactor materials research.