Search results for "Annealing"
showing 10 items of 434 documents
Neural network prediction in a system for optimizing simulations
2002
Neural networks have been widely used for both prediction and classification. Back-propagation is commonly used for training neural networks, although the limitations associated with this technique are well documented. Global search techniques such as simulated annealing, genetic algorithms and tabu search have also been used for this purpose. The developers of these training methods, however, have focused on accuracy rather than training speed in order to assess the merit of new proposals. While speed is not important in settings where training can be done off-line, the situation changes when the neural network must be trained and used on-line. This is the situation when a neural network i…
On-surface Synthesis of a Chiral Graphene Nanoribbon with Mixed Edge Structure.
2020
Abstract Chiral graphene nanoribbons represent an important class of graphene nanomaterials with varying combinations of armchair and zigzag edges conferring them unique structure‐dependent electronic properties. Here, we describe the on‐surface synthesis of an unprecedented cove‐edge chiral GNR with a benzo‐fused backbone on a Au(111) surface using 2,6‐dibromo‐1,5‐diphenylnaphthalene as precursor. The initial precursor self‐assembly and the formation of the chiral GNRs upon annealing are revealed, along with a relatively small electronic bandgap of approximately 1.6 eV, by scanning tunnelling microscopy and spectroscopy.
Study of tantalum hemicarbide (Ta2C) production by low pressure carburizing
2015
Tantalum is a very dense metal (d = 16.6) and has a very high melting temperature of 2996°C. This material is particularly required for crucibles used for pyrochemical applications. Early studies show that a carburizing treatment enhances corrosion resistance from liquid metals. Indeed, the intergranular attack of tantalum is stopped by Ta2C precipitates, which occupy the grain boundary regions. The production of the carbon saturated tantalum with Ta2C precipitates requires a good understanding of tantalum carburizing.A carburizing treatment on tantalum sample causes the emergence of a TaC layer on surface and Ta2C layer just below. A reduction of carbon flow has enabled the study of the fi…
Coprecipitation synthesis of Nd:YAG nanopowders II: the effect of Nd dopant addition the on Luminescence Properties
2009
Abstract Nanopowders of Yttrium Aluminium Garnet (Y3Al5O12, YAG) doped with neodymium (Nd:YAG, 0.2–24.0 at.%) were prepared using the co-precipitation method followed by an annealing treatment up to 950 °C. For a concentration of neodymium lower than 3.2 at.% the materials were found constituted by the garnet phase according to X-ray diffraction investigations. However, at higher neodymium loading the hexagonal and monoclinic forms of yttrium aluminium oxides were found together with the garnet phase. For Nd quantity lower than 0.8% the luminescence emission spectra appear to be nearly the same, indicating that in the examined range of composition the immediate surrounding of the emitting N…
Inverse simulated annealing for the determination of amorphous structures
2013
We present a new and efficient optimization method to determine the structure of disordered systems in agreement with available experimental data. Our approach permits the application of accurate electronic structure calculations within the structure optimization. The new technique is demonstrated within density functional theory by the calculation of a model of amorphous carbon.
Heteroeptiaxial growth of alloy monolayers on W(110)
2005
Abstract We studied the initial growth of Co 1 - x Fe x films on W(1 1 0) using scanning tunneling microscopy and spectroscopy (STM and STS), in combination with low-energy electron diffraction (LEED). For Co-rich alloys the deposition at room temperature followed by high-temperature annealing is not equivalent to the deposition at high substrate temperatures, in contrast to the case of Fe-rich alloys. While room temperature deposition results in a structure consisting of small islands even after annealing, deposition at high substrate temperatures leads to large coalesced areas. Sequential deposition of pure Co and pure Fe results in phase separated areas of Co- and Fe-rich areas. Only, in…
MoO (x≤2) ultrathin film growth from reactions between metallic molybdenum and TiO2 surfaces
2001
Abstract Exposures to oxygen at room temperature and annealings under vacuum were carried out on deposits obtained from molybdenum interacting with (1 1 0) TiO 2 surfaces in order to obtain molybdenum oxide ultra thin films. Exposures to oxygen at room temperature show that the interfacial molybdenum oxide layers resulting from the TiO 2 /Mo interactions are inactive towards oxygen whereas the metallic molybdenum clusters, which grew on top of the interfacial layers, oxidise into MoO 3 . Besides, during annealings under vacuum, substrate oxygen anions can diffuse into the deposit. Thus, between 400 and 500°C, molybdenum oxide layers are progressively oxidised into MoO 2 . Moreover, from the…
Anomalous Kinetics of Diffusion-Controlled Defect Annealing in Irradiated Ionic Solids
2017
The authors thanks A. Ch. Lushchik, M. Izerrouken, and V. Lisitsyn for stimulating discussions. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euroatom research and training programme 2014-2018 under Grant Agreement No. 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. R.V. acknowledges the financial support by the MEIC (Ministerio de Economa, Industria y Competitivad; Project ENE2015-70300-C3-1-R). The calculations were performed using facilities of the Stuttgart Supercomputer Center (Project DEFTD 12939).
Growth of ZnO crystals by vapour transport: Some ways to act on physical properties
2006
Nowadays, the growth of ZnO by vapor transport in silica ampoules is generally made in presence of graphite. As it has been already shown, this means that the growth process is carried out in presence of a Zn excess. In order to control that and act, as a consequence, on the physical properties of crystals we have performed a systematic study of the growth process in a wide range of Zn excess compositions using well defined experimental conditions. As a preliminary characterization, optical absorption and electrical properties have been analyzed at room temperature. The results show how some physical properties of as-grown ZnO crystals can be changed in a controlled way by an adequate combi…
MOCVD growth of CdTe on glass: analysis of in situ post-growth annealing
2004
Abstract In this paper, we analyse the growth by MOCVD of CdTe on glass substrates using in situ post-growth annealing. First, in order to perform a systematic study, polycrystalline layers of CdTe were deposited by MOCVD on glass substrates. The structure and morphology of the layers was investigated as a function of different growth parameters, temperature, VI/II precursor molar ratio and substrate position on the susceptor. An activation energy of Ek=20.7 kcal/mol was obtained from the experimental data. In order to better understand the process and the effects of different growth parameters, a numerical model that simulated the gas flow in the reactor, was developed. Secondly we analyse…