scholarly journals THE BINDING ENERGY AND THE TOTAL ENERGY OF A MACROSCOPIC BODY IN THE RELATIVISTIC UNIFORM MODEL

2019 ◽  
Vol 5 (1) ◽  
pp. 46-62 ◽  
Author(s):  
Sergey G. Fedosin ◽  
Keyword(s):  
Binding Energy ◽  
Total Energy ◽  
Uniform Model

QUADRONIUM: UNRAVELLING THE e+e− PUZZLE

1991 ◽  
Vol 06 (11) ◽  
pp. 1985-2004 ◽  
Author(s):  
JAMES J. GRIFFIN
Keyword(s):  
Binding Energy ◽  
Total Energy ◽  
Production Process ◽  
Internal Structure ◽  
Heavy Ion ◽  
Two Stage ◽  
Strong Binding ◽  
Positron Emission

The development of the Quadronium scenario for the e+e− puzzle is reviewed. The Quadronium (strong binding) hypothesis leads to a two-stage (spontaneous creation)/(energy inflation) production process for Q0, which can yield decay lines as narrow in energy as those observed, and which suggests that Q0 may either be created free, or bound to an outgoing heavy ion. In turn, this bound/free dichotomy provides a template for analyzing the experimental facts, which yields a good semiquantitative description of the EPOS data. Remarkably, this description of the later stages of the process is independent of the internal structure of the decaying object, and yet provides predictions for much of the available data. Finally, the bound decays imply a new (and so far never studied) process of sharp annihilative positron emission (SAPosE), in which the electron is captured into a Bohr — Dirac orbit of the nuclear ion, and the positron emerges with a total energy equal to the energy of the decaying Q0 state plus the binding energy of the electron. These successes focus the attention on the underlying hypothesis: How can one prove definitively either that Q0 is or is not strongly bound?

Molecular Dynamics Simulations of Polypropylene and Talcum Nanocomposite

2012 ◽  
Vol 466-467 ◽  
pp. 161-164
Author(s):  
Na Song ◽  
Qing Wang ◽  
Xiao Ji Zhang ◽  
Peng Ding
Keyword(s):  
Molecular Dynamics ◽  
Molecular Modeling ◽  
Binding Energy ◽  
Potential Energy ◽  
Total Energy ◽  
Polymer Chains ◽  
Nanocomposite System ◽  
Modeling Techniques ◽  
Dynamics Simulations ◽  
Simulation Time

Molecular modeling techniques were applied to predicting binding energy for PP/talc and PP-MAH/talc. A supercell containing talc and two polymer chains of 25 repeating units length was constructed. The COMPASS forcefield has been used to represent the interactions in the nanocomposite system. The interactions are improved between the polymer and the clay in the presence of functional groups. And the total energy and potential energy between PP and the talc decreases almost linearly with the simulation time.

Hydrogen adsorbed in ab initio computationally simulated nanoporous carbon. An energetics study

2007 ◽  
Vol 1042 ◽  
Author(s):  
R. M. Valladares ◽  
Alexander Valladares ◽  
A. G. Calles ◽  
Ariel A. Valladares
Keyword(s):  
Hydrogen Atom ◽  
Binding Energy ◽  
Total Energy ◽  
Ab Initio ◽  
Molecular Hydrogen ◽  
Molecular Form ◽  
Average Energy ◽  
Nanoporous Carbon ◽  
Hydrogen Atoms ◽  
Pure Carbon

AbstractNanoporous carbon has been considered an interesting and potentially useful material for storing hydrogen. Using nanoporous carbon periodic supercells with 216 atoms and 50 % porosity, constructed with a novel ab initio approach devised by us, the dangling bonds of the carbon atoms were first saturated with hydrogen, then relaxed and its total energy calculated with and without hydrogen. Next the same number of hydrogen atoms, in molecular form, was randomly placed within the pore of the pure carbon supercell, then the sample relaxed, and finally its total energy calculated, also with and without hydrogens. From these results the average energy per hydrogen atom is obtained for both cases. For the molecular hydrogen sample the binding energy found per hydrogen atom is 343.89 meV, which compares favourably with values reported in the literature, 300-400 meV/molecule.

scholarly journals ENHANCEMENT OF GRAPHENE BINDING ENERGY BY Ti 1ML INTERCALATION BETWEEN GRAPHENE AND METAL SURFACES

2012 ◽  
Vol 11 ◽  
pp. 139-144
Author(s):  
TOMOAKI KANEKO ◽  
HIROSHI IMAMURA
Keyword(s):  
Binding Energy ◽  
Total Energy ◽  
Electronic Properties ◽  
Metal Surface ◽  
First Principles ◽  
Metal Surfaces ◽  
Energy Calculations ◽  
Metal Atoms ◽  
Structural And Electronic Properties

We theoretically investigate the effects of intercalation of a thin Ti layer between graphene (Gr) and metal surface ( Au , Ag , Al , Pt , and Pd ) on structural and electronic properties by using the first-principles total energy calculations. We find that the strongest binding energy is realized when 1 monolayer (ML) of Ti is intercalated between Gr and a metal surface independent of the metal atoms, which is 0.08-0.15 eV larger than that for Gr absorbed on a Ti (0001) surface. As the number of Ti layers increases, the binding energy monotonically decreases and converges to that for Gr adsorbed onto the Ti surface. We show that the origin of the enhancement of binding energy can be classified into two classes by considering the affinity of Ti for the metal surfaces.

scholarly journals Квантово-механический подход к определению энергии активации поверхностной диффузии

2020 ◽  
Vol 62 (11) ◽  
pp. 1943
Author(s):  
Э.Ф. Штапенко ◽  
В.В. Титаренко ◽  
В.А. Заблудовский ◽  
Е.О. Воронков
Keyword(s):  
Activation Energy ◽  
Binding Energy ◽  
Total Energy ◽  
Surface Diffusion ◽  
Copper Substrate ◽  
Quantum Mechanical ◽  
Nickel Zinc ◽  
Adsorbed Atoms ◽  
Mechanical Approach ◽  
Quantum Mechanical Approach

A quantum-mechanical approach is proposed for determining the activation energy of surface diffusion for adsorbed atoms of copper, nickel, zinc and iron on a copper substrate during electrocrystallization for various substrate overpotential. The calculation of the activation energy of surface diffusion is performed through the total energy of the crystal. An increase in the activation energy of surface diffusion with an increase in the surface potential is associated with an increase in the binding energy of the ad-atom with the substrate

scholarly journals From Black Holes to Neutrino Stars

2018 ◽  
Author(s):  
Roumen Tsekov
Keyword(s):  
Surface Tension ◽  
Black Holes ◽  
Binding Energy ◽  
Total Energy ◽  
Body Surface ◽  
Hawking Temperature ◽  
The Body ◽  
Size Dependent ◽  
Schwarzschild Radius

Due to limitation of the binding energy of a self-gravitating matter, the radius of a body is at least twice larger than the Schwarzschild radius. The total energy is adsorbed at the body surface, giving rise of a size-dependent surface tension. Since the Hawking temperature appears to be the critical one, the black holes possess zero surface tension. Microscopic neutrino stars are also introduced.

A Computational Study of Catalytic Platinum Nanoparticles With and Without OH Chemisorption During Reactions

2008 ◽  
Author(s):  
Mikhail Sekachev ◽  
Cheng-Xian Lin ◽  
Zhiyu Hu ◽  
Don Dareing
Keyword(s):  
Binding Energy ◽  
Total Energy ◽  
Platinum Nanoparticles ◽  
Cluster Size ◽  
Density Functional ◽  
Energy Gap ◽  
Computational Study ◽  
Basis Set ◽  
Functional Theory ◽  
The Stability

In this paper, various energies and geometries of pure platinum nanoparticles and those of platinum nanoparticles with adsorbed OH were investigated. Ten different platinum clusters of up to 28 atoms were studied using spin-unrestricted density functional theory (DFT) with a double numerical plus polarization basis set. Three different shapes were presented, and the effect of cluster size on binding energy, total energy, and HOMO-LUMO energy gap was investigated. The same set of calculations was performed for selected clusters with OH adsorbate on the Pt(111) surface. The results show that the stability of both the pure clusters and the clusters with adsorbed OH molecule increases with an increase of cluster size. This fact indicates that direct influence of the size of Pt cluster on the reaction rate is possible, and the understanding of how cluster size would affect binding energy is important. The effect of cluster size on total energy of molecule was shown to be a linear function independent of cluster type, as expected. We also found that optimized (stable) Pt clusters were bigger in size than that of the initial clusters, or clusters with bulk geometry.

Controlled modulation of the binding energy of impurity states in a quantum-well system

1996 ◽  
Vol 166 (4) ◽  
pp. 447-448 ◽  
Author(s):  
Vladimir I. Belyavskii ◽  
Yurii V. Kopaev ◽  
N.V. Kornyakov
Keyword(s):  
Binding Energy ◽  
Quantum Well ◽  
Impurity States
Sign in / Sign up

Export Citation Format

Share Document