Interaction-induced energy-level crossing and transport phenomena in topological insulators

RSC Advances ◽  
2016 ◽  
Vol 6 (110) ◽  
pp. 109259-109266 ◽  
Author(s):  
Andrew Das Arulsamy
Keyword(s):  
Experimental Data ◽  
Energy Level ◽  
Ionization Energy ◽  
Topological Insulators ◽  
Transport Phenomena ◽  
Level Crossing ◽  
Type Transition ◽  
Energy Theory ◽  
Ionization Energy Theory

Doping-dependent resistivity and carrier-type transition in (Bi1−xSbx)2Te3topological insulators are evaluated using the ionization energy theory supported by experimental data.

Some general aspects of ion interactions with the channel pore

RSC Advances ◽  
2016 ◽  
Vol 6 (57) ◽  
pp. 52082-52094 ◽  
Author(s):  
Andrew Das Arulsamy
Keyword(s):  
Experimental Data ◽  
Ion Channels ◽  
Ionization Energy ◽  
Microscopic Mechanism ◽  
Channel Pore ◽  
Cation Selectivity ◽  
Ion Interactions ◽  
Energy Theory ◽  
General Aspects ◽  
Ionization Energy Theory

Microscopic mechanism for cation selectivity in three different ion channels is proposed using ionization energy theory supported by experimental data.

scholarly journals Logical construction of the ionization energy theory and the origin of physical categories

2021 ◽  
Author(s):  
Andrew Das Arulsamy
Keyword(s):  
Energy Level ◽  
Ionization Energy ◽  
Chemical Elements ◽  
Level Spacing ◽  
Ionization Energies ◽  
Physical Systems ◽  
Logical Construction ◽  
Quantum Matter ◽  
Single Structure ◽  
Ionization Energy Theory

Abstract Logical proofs and definitions are developed to establish (1) that the energy-level spacings,for each chemical element (from the periodic table of chemical elements) can be converted to the ionization energies, (2) both and the ionization energies are unique, and (3) the averaged ionization energy of any quantum matter is proportional to the averaged ionization energy of its constituent chemical elements, if and only if 6= 0 and is not an irrelevant constant. Physical atoms are then constructed to define the physical sets such that these sets are members of a specific physical class where each class belongs to a specific physical category, P. However, there is not a single structure-preserving functor from one energy-level spacing physical category, P to another P′. Therefore, the existence of many P implies the existence of different categories of physical systems and quantum matter.

Electronic Coherence Provides a Direct Proof for Energy-Level Crossing in Photoexcited Lutein andβ-Carotene

2009 ◽  
Vol 103 (10) ◽  
Author(s):  
Evgeny Ostroumov ◽  
Marc G. Müller ◽  
Christel M. Marian ◽  
Martin Kleinschmidt ◽  
Alfred R. Holzwarth
Keyword(s):  
Energy Level ◽  
Direct Proof ◽  
Level Crossing ◽  
Electronic Coherence

scholarly journals Molecular predissociation resonances near an energy-level crossing I: Elliptic interaction

2016 ◽  
Vol 260 (5) ◽  
pp. 4051-4085 ◽  
Author(s):  
S. Fujiié ◽  
A. Martinez ◽  
T. Watanabe
Keyword(s):  
Energy Level ◽  
Level Crossing

Energy level crossing effects in the rare-earth zircons TmPO4 and PrVO4

2001 ◽  
Vol 294-295 ◽  
pp. 132-135 ◽  
Author(s):  
A. Kirste ◽  
N. Puhlmann ◽  
I. Stolpe ◽  
H.-U. Mueller ◽  
M. von Ortenberg ◽  
...  
Keyword(s):  
Rare Earth ◽  
Energy Level ◽  
Level Crossing ◽  
The Rare Earth

scholarly journals Enhanced Molecular Dynamics Approach for Thermal Transport Phenomena in Complex Systems

2021 ◽  
Author(s):  
Sylvie Antoun
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Complex Systems ◽  
Force Field ◽  
Potential Field ◽  
Thermal Transport ◽  
Ternary Mixture ◽  
Soret Effect ◽  
Transport Phenomena ◽  
Integration Scheme

This thesis introduces an enhanced Molecular Dynamics (MD) approach, blended with fine-tuned Force Field (FF) models to reflect more realistic experimental conditions and achieve a precise representation of the atomic interactions in complex systems. Firstly, an enhanced MD algorithm consisting of an upgraded non-equilibrium integration scheme, namely eHEX, coupled with an augmented TraPPE-UA force field, was generated and put to use to predict Soret effect in a binary mixture: n-pentane/n-decane. The results were compared to other MD approaches and validated with respect to benchmarked experimental data. The suggested method showed a closer agreement with experimental data than the previous MD findings. The reinforced potential field (TraPPE-UA) was capable of reflecting the real molecular interactions between the hydrocarbons and reproduce the liquid mixture properties at different conditions. Moreover, the extended HEX method succeeded in conserving the system’s overall energy with minor fluctuations and attaining a stationary state, ensuring the precision of the integration scheme and the satisfaction of local equilibrium. Secondly, the performance of the previously proposed approach was further studied to test its performance on a ternary mixture of methane/n-butane/n-dodecane at five different compositions. Thermodiffusion separation ratio of each component was assessed at 333.15 K and 35 MPa, and compared to the experimental data as well as 3 other MD models from the literature. A good qualitative agreement between the experimental data and the MD model observed in this work was observed, displaying the least deviation when compared to the other MD approaches. The method was capable of adequately representing the physics behind the thermodiffusive separation and deepening the microscopic understanding of the segregation process in a ternary mixture undergoing large thermal gradients. Put differently, the approach elucidates the relative contribution of the cross-interactions found between the unlike species in the mixture and their corresponding composition. Next, an enhanced MD approach was also presented to predict the dynamics and thermophysical properties of suspended γ-alumina nanoparticles (NPs) in acidic aqueous solutions. The previous MD work have unveiled numerous impediments in terms of reproducing the thermal transport phenomena in nanofluids. A hybrid potential field, comprised of refined orce field models (ClayFF and SPC/E), was implemented to allow a precise integration of the nanoscale phenomena into the dynamics and structure of charged alumina NPs, thereby bridging the challenging gap between the solid-liquid interfacial chemistry and the overall thermodynamic properties. The original CLAYFF was augmented to properly account for the energy and momentum transfer between the water molecules and the positively charged NPs, while keeping the number of parameters small enough to allow modeling of a relatively large nanofluidic system.The results were in good agreement with the experimental data. An increase of the NPs volumetric concentration (φ) lead to the enhancement of thermal conductivity along with an increase of viscosity. The results demonstrate the crucial role played by the repulsive electrostatic forces yielding well-dispersed NP suspensions, specially at low φ. The post analysis of Mouromtseff number demonstrated that at lower φ, the system show a higher propensity for stability and enhancement for φ less than 2%, specially at high temperatures. On the contrary, for volumetric concentrations higher than 2%, the system thermal performance deteriorates which is expected due to the fact that the system exhibit a critical condition of aggregation and clogging. With all of the above findings in mind, the MD framework presented in this thesis represents an improved step towards a precise and computationally balanced MD modelling that bridges the relation between molecular signatures and macroscopic features, capable of overcoming the shortcomings present in mainly two emerging thermal applications: 1) Soret effect in hydrocarbon mixture and 2) thermal transport of alumina-water nanofluids.

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