Nonisothermal melt and cold crystallization kinetics of poly(aryl ether ether ketone ketone)

Analysis of the nonisothermal melt and cold crystallization kinetics of poly(aryl ether ether ketone ketone) (PEEKK) was performed by using differential scanning calorimetry (DSC). The Avrami equation modified by Jeziorny could describe only the primary stage of nonisothermal crystallization of PEEKK. And, the Ozawa analysis, when applied to this polymer system, failed to describe its nonisothermal crystallization behavior. A new and convenient approach for the nonisothermal crystallization was proposed by combining the Avrami equation with the Ozawa equation. By evaluating the kinetic parameters in this approach, the crystallization behavior of PEEKK was analyzed. According to the Kissinger method, the activation energies were determined to be 189 and 328 kJ/mol for nonisothermal melt and cold crystallization, respectively.

Trade-off between minimum number of wireless sensors and the accuracy of temperature profile in cold rooms: a model-based framework

Evaluation of temperature distribution in cold rooms is an important consideration in the design of food storage solutions. Two common approaches used in both industry and academia to address this question are the deployment of wireless sensors, and modelling with Computational Fluid Dynamics (CFD). However, for a realworld evaluation of temperature distribution in a cold room, both approaches have their limitations. For wireless sensors, it is economically unfeasible to carry out large-scale deployment (to obtain a high resolution of temperature distribution); while with CFD modelling, it is usually not accurate enough to get a reliable result. In this paper, we propose a model-based framework which combines the wireless sensors technique with CFD modelling technique together to achieve a satisfactory trade-off between minimum number of wireless sensors and the accuracy of temperature profile in cold rooms. A case study is presented to demonstrate the usability of the framework.

Model and visualise the relationship between energy consumption and temperature distribution in cold rooms

In the area of food and pharmacy cold storage, temperature distribution is considered as a key factor. Inappropriate distribution of temperature during the cooling process in cold rooms will cause the deterioration of the quality of products and therefore shorten their life-span. In practice, in order to maintain the distribution of temperature at an appropriate level, large amount of electrical energy has to be consumed to cool down the volume of space, based on the reading of a single temperature sensor placed in every cold room. However, it is not clear and visible that what is the change of energy consumption and temperature distribution over time. It lacks of effective tools to visualise such a phenomenon. In this poster, we initially present a solution which combines a visualisation tool with a Computational Fluid Dynamics (CFD) model together to enable users to explore such phenomenon.

Spatial and energetic mode dynamics of cold atomic systems

In this thesis we relate the formal description of various cold atomic systems in the energy eigenbasis, to the observable spatial mode dynamics. Herein the `spatial mode dynamics' refers to the direction of photon emission following the spontaneous emission of an excited fermion in the presence of a same species and spin ideal anisotropic Fermi sea in its internal ground state. Due to the Pauli principle, the presence of the ground state Fermi sea renders the phase space, anisotropic and only partially accessible, thereby a ecting the direction of photon emission following spontaneous emission. The spatial and energetic mode dynamics also refers to the quantum `tunneling' interaction between localised spatial modes, synonymous with double well type potentials. Here we relate the dynamics of the wavefunction in both the energetic and spatial representations. Using this approach we approximate the relationship between the spatial and energetic representations of a wavefunction spanning three spatial and energetic modes. This is extended to a process known as Spatial Adiabatic Passage, which is a technique to transport matter waves between localised spatial modes. This approach allows us to interpret the transport of matter waves as a signature of a geometric phase acquired by the one of the internal energy eigenstates of the system during the cyclical evolution. We further show that this geometric phase may be used to create spatial mode qubit and qutrit states.

Techniques for engineering quantum states

In this thesis I theoretically study quantum states of ultracold atoms. The majority of the Chapters focus on engineering specific quantum states of single atoms with high fidelity in experimentally realistic systems. In the sixth Chapter, I investigate the stability and dynamics of new multidimensional solitonic states that can be created in inhomogeneous atomic Bose-Einstein condensates. In Chapter three I present two papers in which I demonstrate how the coherent tunnelling by adiabatic passage (CTAP) process can be implemented in an experimentally realistic atom chip system, to coherently transfer the centre-of-mass of a single atom between two spatially distinct magnetic waveguides. In these works I also utilise GPU (Graphics Processing Unit) computing which offers a significant performance increase in the numerical simulation of the Schrödinger equation. In Chapter four I investigate the CTAP process for a linear arrangement of radio frequency traps where the centre-of-mass of both, single atoms and clouds of interacting atoms, can be coherently controlled. In Chapter five I present a theoretical study of adiabatic radio frequency potentials where I use Floquet theory to more accurately model situations where frequencies are close and/or field amplitudes are large. I also show how one can create highly versatile 2D adiabatic radio frequency potentials using multiple radio frequency fields with arbitrary field orientation and demonstrate their utility by simulating the creation of ring vortex solitons. In the sixth Chapter I discuss the stability and dynamics of a family of multidimensional solitonic states created in harmonically confined Bose-Einstein condensates. I demonstrate that these solitonic states have interesting dynamical instabilities, where a continuous collapse and revival of the initial state occurs. Through Bogoliubov analysis, I determine the modes responsible for the observed instabilities of each solitonic state and also extract information related to the time at which instability can be observed.

Modeling the dynamics of electromagnetically agitated metallurgical flows: levitation, cold crucible, aluminium electrolysis, etc.

We present practical modelling techniques for electromagnetically agitated liquid metal flows involving dynamic change of the fluid volume and shape during melting and the free surface oscillation. Typically the electromagnetic field is strongly coupled to the free surface dynamics and the heat-mass transfer. Accurate pseudo-spectral code and the k-omega turbulence model modified for complex and transitional flows with free surfaces are used for these simulations. The considered examples include magnetic suspension melting, induction scull remelting (cold crucible), levitation and aluminium electrolysis cells. The process control and the energy savings issues are analysed.

Investigation of the cold crucible melting process: experimental and numerical study

The dynamic process of melting different materials in a cold crucible is being studied experimentally with parallel numerical modelling work. The numerical simulation uses a variety of complementing models: finite volume, integral equation and pseudo-spectral methods combined to achieve the accurate description of the dynamic melting process. Results show the temperature history of the melting process with a comparison of the experimental and computed heat losses in the various parts of the equipment. The free surface visual observations are compared to the numerically predicted surface shapes.

Maximising heat transfer efficiency in the cold crucible induction melting process

Induction heating is an efficient method used to melt electrically conductive materials, particularly if melting takes place in a ceramic crucible. This form of melting is particularly good for alloys, as electromagnetic forces set up by the induction coil lead to vigorous stirring of the melt ensuring homogeneity and uniformity in temperature. However, for certain reactive alloys, or where high purity is required, ceramic crucibles cannot be used, but a water-cooled segmented copper crucible is employed instead. Water cooling prevents meltdown or distortion of the metal wall, but much of the energy goes into the coolant. To reduce this loss, the electromagnetic force generated by the coil is used to push the melt away from the walls and so minimise contact with water-cooled surfaces. Even then, heat is lost through the crucible base where contact is inevitable. In a collaborative programme between Greenwich and Birmingham Universities, computer modelling has been used in conjunction with experiments to improve the superheat attainable in the melt for a,number of alloys, especially for y-TiAl intermetallics to cast aeroengine turbine blades. The model solves the discretised form of the turbulent Navier-Stokes, thermal energy conservation and Maxwell equations using a Spectral Collocation technique. The time-varying melt envelope is followed explicitly during the computation using an adaptive mesh. This paper briefly describes the mathematical model used to represent the interaction between the magnetic field, fluid flow, heat transfer and change of phase in the crucible and identifies the proportions of energy used in the melt, lost in the crucible base and in the crucible walls. The role of turbulence is highlighted as important in controlling heat losses and turbulence damping is introduced as a means of improving superheat. Model validation is against experimental results and shows good agreement with measured temperatures and energy losses in the cooling fluid throughout the melting cycle.

Dynamic melting model for small samples in cold crucible

Purpose – A small size cold crucible offers possibilities for melting various electrically conducting materials with a minimal wall contact. Such small samples can be used for express contamination analysis, preparing limited amounts of reactive alloys or experimental material analyses. Aims to present a model to follow the melting process. Design/methodology/approach – The presents a numerical model in which different types of axisymmetric coil configurations are analysed. Findings – The presented numerical model permits dynamically to follow the melting process, the high-frequency magnetic field distribution change, the free surface and the melting front evolution, and the associated turbulent fluid dynamics. The partially solidified skin on the contact to the cold crucible walls and bottom is dynamically predicted. The segmented crucible shape is either cylindrical, hemispherical or arbitrary shaped. Originality/value – The model presented within the paper permits the analysis of melting times, melt shapes, electrical efficiency and particle tracks.

Dynamic model for metal cleanness evaluation by melting in a cold crucible

Melting of metallic samples in a cold crucible causes inclusions to concentrate on the surface owing to the action of the electromagnetic force in the skin layer. This process is dynamic, involving the melting stage, then quasi-stationary particle separation, and finally the solidification in the cold crucible. The proposed modeling technique is based on the pseudospectral solution method for coupled turbulent fluid flow, thermal and electromagnetic fields within the time varying fluid volume contained by the free surface, and partially the solid crucible wall. The model uses two methods for particle tracking: (1) a direct Lagrangian particle path computation and (2) a drifting concentration model. Lagrangian tracking is implemented for arbitrary unsteady flow. A specific numerical time integration scheme is implemented using implicit advancement that permits relatively large time-steps in the Lagrangian model. The drifting concentration model is based on a local equilibrium drift velocity assumption. Both methods are compared and demonstrated to give qualitatively similar results for stationary flow situations. The particular results presented are obtained for iron alloys. Small size particles of the order of 1 μm are shown to be less prone to separation by electromagnetic field action. In contrast, larger particles, 10 to 100 μm, are easily “trapped” by the electromagnetic field and stay on the sample surface at predetermined locations depending on their size and properties. The model allows optimization for melting power, geometry, and solidification rate.

The inhibition of N2O production by ocean acidification in cold temperate and polar waters

The effects of ocean acidification (OA) on nitrous oxide (N2O) production and on the community composition of ammonium oxidizing archaea (AOA) were examined in the northern and southern sub-polar and polar Atlantic Ocean. Two research cruises were performed during June 2012 between the North Sea and Arctic Greenland and Barent Seas, and in January–February 2013 to the Antarctic Scotia Sea. Seven stations were occupied in all during which shipboard experimental manipulations of the carbonate chemistry were performed through additions of NaHCO3−+HCl in order to examine the impact of short-term (48 h for N2O and between 96 and 168 h for AOA) exposure to control and elevated conditions of OA. During each experiment, triplicate incubations were performed at ambient conditions and at 3 lowered levels of pH which varied between 0.06 and 0.4 units according to the total scale and which were targeted at CO2 partial pressures of ~500, 750 and 1000 µatm. The AOA assemblage in both Arctic and Antarctic regions was dominated by two major archetypes that represent the marine AOA clades most often detected in seawater. There were no significant changes in AOA assemblage composition between the beginning and end of the incubation experiments. N2O production was sensitive to decreasing pHT at all stations and decreased by between 2.4% and 44% with reduced pHT values of between 0.06 and 0.4. The reduction in N2O yield from nitrification was directly related to a decrease of between 28% and 67% in available NH3 as a result of the pH driven shift in the NH3:NH4+ equilibrium. The maximum reduction in N2O production at conditions projected for the end of the 21st century was estimated to be 0.82 Tg N y−1.

On the semiclassical approach to cold atomic collisions

We extend the semiclassical description of two-state atomic collisions to low energies for which the impact parameter treatment fails. The problem reduces to solving a system of first-order differential equations with coefficients whose semiclassical asymptotes experience the Stokes phenomenon in the complex coordinate plane. Primitive semiclassical and uniform Airy approximations are discussed.