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Corresponding Author
Riser Fahdiran
Institutions
(a) Department of Physics, State University of Jakarta, Jalan Rawamangun Muka, Jakarta Timur, 13220, Indonesia
(b) Department of Chemistry, State University of Jakarta, Jalan Rawamangun Muka, Jakarta Timur, 13220, Indonesia
Abstract
We study the evolution of cluster formation on ultrafast laser induced ablation of Gold nanoparticle by means of Molecular Dynamics simulation. The energy given to the system are in two regime, the lower energy is able to ablate and the higher energy evaporate the nanoparticle into finer cluster. The case for lower energy, the system formed a shell structure with smaller clusters reside within, while for higher energy the system are evaporated and dominated with monomers and small clusters around. The evaporated case shows a compressive pressure all over the simulation time while for lower energy case, tensile pressure are responsible for the fraction of the nanoparticle. Small angle scattering analysis performed at the end of simulation indicated the distribution of cluster sizes are linearly correspond to the cluster size analysis obtained by following trajectories of each atom from Molecular Dynamics scheme.
Keywords
cluster; nanoparticle; small angle scattering; Gold
Topic
Computational and characterization of materials
Corresponding Author
Rizal Arifin
Institutions
a) Department of Mechanical Engineering, Universitas Muhammadiyah Ponorogo, Jl Budi Utomo No. 10 Ponorogo, 63471 Indonesia
*rarifin[at]umpo.ac.id
b) Center of Materials Engineering and Energy, Universitas Muhammadiyah Ponorogo, Jl Budi Utomo No. 10 Ponorogo, 63471 Indonesia
c) Department of Informatics Engineering, Universitas Muhammadiyah Ponorogo, Jl Budi Utomo No. 10 Ponorogo, 63471 Indonesia
Abstract
In this paper, we evaluate the structure of glassy NiTi at the temperature of 10 K obtained from molecular dynamics simulations by various cooling times. The final configurations of glassy NiTi were produced by decreasing the temperature of the liquid NiTi rapidly from 2500 K until 10 K during 0,1 ns to 1 ns of cooling times. We find in our result that the count of BCC-like and Icosahedral-like local structure increase at the longer cooling times, while the count of HCP-like local structure decrease when the cooling times become longer. We also observe that the count of FCC-like local structure almost remains constant for all cooling times variation.
Keywords
glassy NiTi, local structure, cooling times, molecular dynamics simulations
Topic
Computational and characterization of materials
Corresponding Author
HERI SUGITO
Institutions
Physics Department, Diponegoro University
Abstract
Detection of heavy metal containment of soil pollution has been made by using laser-induced breakdown spectroscopy (LIBS). A pulsed Nd:YAG laser (1064 nm, 8 ns, 200 mJ) was focused on to a soil sample, which is prepared in the form of pellet, at atmospheric pressure. Emission spectra taken from the oil-contaminated soil and uncontaminated soil were obtained. The contaminated soil has almost the similar spectrum profile and contains the same major and minor elements as for the uncontaminated soil case. However, C-H molecular band was clearly detected in oil-contaminated soil, while no C-H band was detected in uncontaminated soil. For comparison, the emission spectra of contaminated and uncontaminated soil were also obtained by using XRD method, showing that the spectra taken by using LIBS is much better than the XRD case indicated by signal to noise ratio (S/N ratio).
Keywords
Laser-Induced Breakdown Spectroscopy, Soil Pollution
Topic
Computational and characterization of materials
Corresponding Author
Fourier Dzar Eljabbar Latief
Institutions
a) Laboratory of Physics of Porous Medium and Fluid Dynamics, Physics of Earth and Complex Systems, Faculty of Mathematics and Natural Sciences, Institu Teknologi Bandung, Jalan Ganesha 10, Bandung 40132, Indonesia
*fourier[at]fi.itb.ac.id
Abstract
Sedimentary rock is commonly well recognized as one of hydrocarbon reservoir rock. Meanwhile, igneous rock is typically found in geothermal reservoirs. Both rock types have different formation mechanism, which leds to different structural properties. Pore space in the sedimentary rock is formed in between the sedimented grains after undergone a diagenesis (sedimentation, compaction, cementation). Igneous rock however, has pore space mainly in the form of fractures and cracks as a result of high overburden pressure which leds to the various scale of deformation in the rock. In this study, both type of rock were represented by computer models. Pore structure characteristics of both rock type were analyzed with varying porosity. The pore space of the igneous rock is modeled by varying the aperture of the crack, which was originated from a real igneous rock (model C). The sedimentary rock is modeled using the random penetrable sphere model (model G). Pore structure characterization by means of digital image analysis shows that pore structure separation (equals to crack aperture in model C, and pore diameter in model G), specific surface area (surface density), and fractal dimension has clear and distinct pattern with respect to change in porosity. Absolute permeability was then calculated by means of simulating fluid flow through the models using Lattice Boltzmann Method which implemented in Palabos (parallel lattice Boltzmann solver). The absolute permeability of model C shows greater effect due to change of porosity compared to model G. Three dimensional qualitative analysis was also conducted from the simulation results, which portrays the pattern of fluid flowpath through the pore space.
Keywords
igneous rock, sedimentary rock, crack, aperture, porosity, absolute permeability
Topic
Computational and characterization of materials
Corresponding Author
Riri Jonuarti
Institutions
a) School of Energy, Bandung Institute of Technology
Jalan Ganesha 10, Bandung 40132, Indonesia
*riri.jonuarti[at]gmail.com
b)Department of Physics, Universitas Andalas, Jalan Universitas Andalas, Limau manis, Padang, 25163,
Indonesia
Abstract
A density functional theory (DFT) method was used to study the structures, stability and band gaps of the ultra-small armchair boron nitride nanotubes (BNNTs). We define the ultra-small size of the armchair boron nitride nanotubes (BNNTs) as a nanotube with diameter less than 1 nm. Each armchair nanotube-s stability and band gap was obtained varied by varying the size of nanotube diameters up to 1 nm. The larger size of diameter the higher stability and wider armchair nanotubes band gap. The results of the ultra-small armchair calculation confirm the same trend of properties with the available calculation data of ultra-small zigzag nitride nanotubes (BNNTs).
Keywords
The density functional theory (DFT); ultra-small armchair boron nitride nanotubes (BNNTs); structures; stability; band gap
Topic
Computational and characterization of materials
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