formation energy
Computer Simulation of Formation Energy and Migration Energy of Vacancies under High Strain in Cu
... the formation and migration behaviors of vacancies in Cu under high elastic strain from 10% compression to 20% elongation were studied by computer simulation using the effective medium theory (EMT) ...total ...
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Measuring the formation energy barrier of skyrmions in zinc substituted Cu2OSeO3
... 5 . 5 ◦ ), and stacked them to form effective rocking curves as a function of time, an example of which is shown in the inset of Fig. 6. The fit Gaussian widths of these curves are displayed in Fig. 6 and show no change ...
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Theoretical Calculation of Thermodynamic Properties of Refractory Metals Using A Semi-Emperical Interatomic Potential
... The formation energy of a vacancy reflects the bond strength of the ...vacancy formation energy, some steps are necessary to be ...potential energy and finally calculate the vacancy ...
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INTRINSIC DEFECT ENERGIES OF LITHIUM HYDRIDE AND LITHIUM DEUTERIDE CRYSTALS
... (The Arrhenius energy is the slope of the ionic conductivity curve and, in an intrinsic region of a crystal, is half of the Schottky pair formation energy plus the vacancy migrati[r] ...
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Analysis of the Thermal Activation of High Mobility Dislocation Loops
... activation energy of infinitely long or pinned straight dislocations lying almost parallel to Peierls potential valley; Peierls potential is a barrier that dislocations encounter in ...activation energy was ...
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Atomistic Simulations of Ge on Amorphous Silica Substrates
... defect formation free energies is to identify the minimum energy configuration and compute its formation energy and vibrational ...potential energy landscape ...
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Phase Stability and Defect Behavior in Complex Thermoelectric Zinc-Antimonides
... The goal here is to create a lattice cluster expansion (CE) Hamiltonian that is capable of describing the entire phase space of a large alloy system. The CE would include scalar quantities, like formation ...
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Enthalpy and free energy of Formation of Diamido and monoamido phosphoric acid.
... . The enthalpy of diamido phosphoric acid is calculated to be -821.9 kJ/mol , and found that reaction (4) is exergonic. This shows that processs of nitrogen containing phosphate inorganic glasses noted in the ceramic ...
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Energy Efficient Mobile Sink Path Selection Using a Cluster Based Approach in WSNs
... There are two types of sinks which one can be act as mobile element and other one act as Base Station. Travelling Salesman problem (TSP) used to find a shortest path for visiting all Rendezvous points by a Mobile-Sink ...
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Interaction of Molecules of Phosphorus Containing Inorganic Additives with Iron Surface: Quantum Chemical Analysis and Tribotechnical Testing
... minimum energy, showed that in the course of adsorption there are essential changes of the arrangement of atoms in an iron cluster (these changes are reflected in Figure ...
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Optimization Approach for LEACH Routing Protocol in WSN
... the energy consumption of wireless sensor ...remaining energy and distance of the ...residual energy then CH will be selected on the bases of ...minimum energy consumption and minimum ...
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Effect of the helix angle of router bits on chip formation and energy consumption during milling of solid wood
... Abstract The effect of the helix angle of a router bit on chip formation and electric energy per volume (specific energy) under different feed speeds and cutting depths du[r] ...
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Optimization of energy exchange in microgrid networks: a coalition formation approach
... The Fig. 6 shows the results of the power losses for the four scenarios cited above. For smaller networks, we notice that the performance of a non-cooperative scenario is better than the grand coalition scenario, and ...
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Thermochemical parameters of 1,2,3,4 tetrahydroquinoline adducts of some divalent transition metal bromides
... or Zn; L = 1,2,3,4-tetrahydroquinoline (THQ); n = 0.75, 1 or 2 have been obtained from the inter- action in hot solution of THQ with the metal(II) bromides. The compounds were characterized by melting points, elemental ...
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DEVELOPMENT OF THE ALGORITHMS FORMATION OF ENERGY- OPTIMIZED TRAINS TRAFFIC MODES
... the formation of a sequence of traction, braking and idling modes with appropriate parameters to satisfy the criterion of optimality of traffic and technical limitations with sufficient ...and energy ...
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Radiative transfer and the energy equation in SPH simulations of star formation
... The energy equation takes account of heating by compres- sion or cooling by expansion (i.e. PdV work); viscous dissi- pation; external irradiation; and radiative cooling. In situations where the thermal timescale ...
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MOBILE HOUSING AS A FUNCTIONALLY-TYPOLOGICAL DIFFERENCE OF THE INDUSTRY OF MODERN HOUSE BUILDING
... to energy conservation are of great relevance: the study of the historical preconditions for the development of energy- efficient housing, the development of basic re- quirements and solutions for their ...
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Evidence for dynamically driven formation of the GW170817 neutron star binary in NGC 4993
... star formation, but we fi nd no indication of ...star formation, it is plausible that the BNS coalescence was triggered by a dynamical process, ...BNS formation and ...
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The Cyclic Universes Model Based on the Split Division Algebras
... dark energy, dark matter, baryonic matter, the standard model particles (leptons, quarks, gauge bosons, and the Higgs boson), and the masses of all elementary ...
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ENERGY ASPECTS OF STRUCTURE FORMATION OF NANOCOMPOSITES BASED ON THERMOPLASTIC
... This contribution depends not only on the individual characteristics of the particles - the composition, structure, technology of obtaining, but also on the technological parameters of processing. For example, heat ...
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