Geometrical Structures of Certain Class of Statistical Manifolds

The geometrical structures of the certain class of statistical manifolds are investigated. The geometwhich includes the original geometrical metrics of S.Amari.

An Original Didactic about Standard Model (Geometric Model of Particle: The Quarks)

This work shows a didactic model representative of the quarks described in the Standard Model (SM). In the model, particles are represented by structures corresponding to geometric shapes of coupled quantum oscillators (GMP). From these didactic hypotheses emerges an in-depth phenomenology of particles (quarks) fully compatible with that of SM, showing, besides, that the number of possible quarks is six.

Structures, stabilities, and electronic properties of F-doped Sin （n=1～12） clusters：Density functional theory investigation

The geometries, stabilities, and electronic properties of FSin （n=1～12） clusters are systematically investigated by using first-principles calculations based on the hybrid density-functional theory at the B3LYP/6-311G level. The geometries are found to undergo a structural change from two-dimensional to three-dimensional structure when the cluster size n equals 3. On the basis of the obtained lowest-energy geometries, the size dependencies of cluster properties, such as averaged binding energy, fragmentation energy, second-order energy difference, HOMO–LUMO （highest occupied molecular orbital–lowest unoccupied molecular orbital） gap and chemical hardness, are discussed. In addition, natural population analysis indicates that the F atom in the most stable FSin cluster is recorded as being negative and the charges always transfer from Si atoms to the F atom in the FSin clusters.

Geometric Structures of Stable Time-Variant State Feedback Systems

A new technique for considering the stabilizing time-variant state feedback gains is proposed from the viewpoint of information geometry. First, parametrization of the set of all stabilizing time-variant state feedback gains is given. Moreover, a diffeomorphic structure between the set of stabilizing time-variant state feedback gains and the Cartesian product of positive definite matrix and skew symmetric matrix satisfying certain algebraic conditions is constructed. Furthermore, an immersion and some results about the eigenvalue locations of stable state feedback systems are derived.

Quantum Chemical Calculation on the Structures and Electronic Properties of Phosphonate Ester as Rare Earth Extractants

Molecular mechanics, molecular dynamics and semi empirical quantum chemical method have been used to study the geometric and electronic structures of six phosphonate ester as rare earth extractants. The results show that the phosphorus atom exhibits sp 3 hybridization. The structures of the extractants are determined by the repulsion of the hydrocarbon groups. In the extractants that have two 2 ethyl hexyl groups, one 2 ethyl hexyl extends straight, and the other extends twistily. When the number of oxygen atom decreases, the negative charge of the phosphoryl oxygen atom increases, but the negative charge of oxygen atom and the positive charge of hydrogen of the hydroxyl group decreases, and the energies of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital(LUMO) increase. The energies of the occupied frontier orbitals are close to each other.

Information Geometric Structures for the Thermodynamic Manifold

In view of information geometry,the state space S of thermodynamic parameters is investigated.First a Riemannian metric for S is defined and then the α-geometric structures of S is given.Some of results obtained by other authors are extended.

An Initial Research on the Geometric Theory of Quasicrystal Structures

The geometric theory of quasicrystal structure is an important subject in quasicrystal research. The authors deduce the quasicrystal plane geometric lattices from the stereograms of quasicrystal space geometric lattice , and put them together to form the geometric lattices of quasicrystal structures . The general characteristics of quasicrystal geometric lattices , the relation between structural models and geometric lattices , and the relation formula (k=0 , 2 , 4 , 6 , 8, 10,12) of the symmetric axis between quasicrystal and crystal are discussed based on the quasicrystal space geometric lattices. This is of significant in quasicrystal research .

Boosted urea electro-oxidation over Ni_(3)N-based nanocomposite via systematic regulation tactic

Exploiting high-efficiency Ni-based materials for electrocatalytic urea oxidation reaction(UOR) is critical for urea-related technologies.The catalytic site density,intrinsic activity,charge transfer,and mass diffusion determine overall electrocatalytic efficiency.Simultaneous modulation over the above four factors promises advanced electrocatalysis,yet challenging.Herein we propose a systematic regulation tactic over composition and geometric structure,constructing a nanocomposite comprising Mn doped Ni_(3)N nanoparticles anchored on reduced graphene oxide(rGO/Mn-Ni_(3)N),achieving elegant integration of four design principles into one,thereby eminently boosting UOR.Particularly,Mn doping in Ni_(3)N can modulate electronic state to induce intrinsic activity regulation.Combining metallic Mn-Ni_(3)N with rGO to engineer hierarchical architecture not only promotes charge transfer,but also enriches active site population.Intriguingly,improved hydrophilicity could impart better electrolyte penetration and gas escape.Consequently,such system-optimized rGO/Mn-Ni_(3)N demonstrates state-of-the-art-level UOR electrocatalysis.This work offers a novel paradigm to create advanced catalysts via systematic and integrated modulation.

In situ confined vertical growth of Co_(2.5)Ni_(0.5)Si_(2)O_(5)(OH)_(4)nanoarrays on rGO for an efficient oxygen evolution reaction

Rational design of oxygen evolution reaction(OER)catalysts at low cost would greatly benefit the economy.Taking advantage of earth-abundant elements Si,Co and Ni,we produce a unique-structure where cobalt-nickel silicate hydroxide[Co_(2.5)Ni_(0.5)Si_(2)O_(5)(OH)_(4)]is vertically grown on a reduced graphene oxide(rGO)support(CNS@rGO).This is developed as a low-cost and prospective OER catalyst.Compared to cobalt or nickel silicate hydroxide@rGO(CS@rGO and NS@rGO,respectively)nanoarrays,the bimetal CNS@rGO nanoarray exhibits impressive OER performance with an overpotential of 307 mV@10 mA cm^(-2).This value is higher than that of CS@rGO and NS@rGO.The CNS@rGO nanoarray has an overpotential of 446 mV@100 mA cm^(-2),about 1.4 times that of the commercial RuO_(2)electrocatalyst.The achieved OER activity is superior to the state-of-the-art metal oxides/hydroxides and their derivatives.The vertically grown nanostructure and optimized metal-support electronic interactions play an indispensable role for OER performance improvement,including a fast electron transfer pathway,short proton/electron diffusion distance,more active metal centers,as well as optimized dualatomic electron density.Taking advantage of interlay chemical regulation and the in-situ growth method,the advanced-structural CNS@rGO nanoarrays provide a new horizon to the rational and flexible design of efficient and promising OER electrocatalysts.

A Novelty Solution to the Neutron Anomaly (An Anomalous Neutron or “Dark”?)

To explain the anomaly (τb ≠ τf) of the neutron lifetime τ in some experiments, in “bottle” τb and in “beam” τf, we resort to an anomalous form of the neutron na. This form belongs to one of two different states of the structure of the quark configurations making up the neutron (nucleon): first, an ordinary form Ψo, while the second is an “anomalous” form Ψa, difficult to detect and decay. If the ordinary configuration is present in everyone nuclear processes, to strong and weak interactions, and in diffusion processes, the anomalous form can emerge, in casual way and probabilistic, in some processes of fusion with production of neutrons and can be highlighted in some experiments as those in “bottle” and in “beam”, see the anomaly of the neutron lifetime. We show that the anomalous form Ψa can be highlighted in the coupling between a dipoles’ lattice of virtual bosons W and the neutron (nucleon) because the neutron into anomalous configuration does not decays. Finally, we interpret the anomalous neutron as a “dark” neutron, presenting, so, the dark matter as an anomalous form of hadron matter.

Density functional theory study of Mg_nNi_2(n=1-6) clusters

The geometries of MgnNi2（n = 1 6） clusters are studied by using the hybrid density functional theory （B3LYP） with LANL2DZ basis sets. For the ground-state structures of MgnNi2 clusters, the stabilities and the electronic properties are investigated. The results show that the groundstate structures and symmetries of Mg clusters change greatly due to the Ni atoms. The average binding energies have a growing tendency while the energy gaps have a declining tendency. In addition, the ionization energies exhibit an odd-even oscillation feature. We also conclude that n = 3, 5 are the magic numbers of the MgnNi2 clusters. The Mg3Ni2 and Mg5Ni2 clusters are more stable than neighbouring clusters, and the MgaNi2 cluster exhibits a higher chemical activity.

Density functional theory study of Mg_2Ni_n(n= 1–8) clusters

The density functional theory B3PW91 with LANL2DZ basis sets has been used to study the possible geometries of Mg2Nin （n - 1-8） clusters. For the lowest energy structures of the clusters, stabilities, electronic properties, and natural bond orbital （NBO） are calculated and discussed. The results show that the doped Mg atoms reduce the stabilities of pure Ni clusters. The Mg2Ni2, Mg2Ni4, and Mg2Ni6 clusters are more stable than neighboring clusters. The system appears magic number characteristics. In addition, the hybridization phenomenon occurs, owing to the interaction of Mg and Ni. The result of charge transfer is that Ni atom is negative and the Mg atom is positive. We also conclude that the 3p and 4d orbitals of the Ni atom have an effect on the stabilities of the clusters.

Evolution of Structural,Electronic and Optical Properties of Monoclinic ZrO_2 under High Pressure:A First Principles Study

The structural, electronic and optical properties of the monoclinic ZrO2 were studied by ab initio calculations based on the density functional theory and pseudopotential method. The calculated lattice parameters and band gap are in agreement with the experimental and other theoretical values. The evolution of lattice parameters and electronic properties were illustrated under high pressure. Meanwhile, the optical properties, such as adsorption coefficients, imaginary part of dielectric function, and energy loss function, were investigated under both ambient and high pressures.

Three-dimensional spatial structure of the macro-pores and flow simulation in anthracite coal based on X-ray μ-CT scanning data

The three-dimensional(3 D) structures of pores directly affect the CH4 flow.Therefore,it is very important to analyze the3 D spatial structure of pores and to simulate the CH4 flow with the connected pores as the carrier.The result shows that the equivalent radius of pores and throats are 1-16 μm and 1.03-8.9 μm,respectively,and the throat length is 3.28-231.25 μm.The coordination number of pores concentrates around three,and the intersection point between the connectivity function and the X-axis is 3-4 μm,which indicate the macro-pores have good connectivity.During the single-channel flow,the pressure decreases along the direction of CH4 flow,and the flow velocity of CH4 decreases from the pore center to the wall.Under the dual-channel and the multi-channel flows,the pressure also decreases along the CH4 flow direction,while the velocity increases.The mean flow pressure gradually decreases with the increase of the distance from the inlet slice.The change of mean flow pressure is relatively stable in the direction horizontal to the bedding plane,while it is relatively large in the direction perpendicular to the bedding plane.The mean flow velocity in the direction horizontal to the bedding plane(Y-axis) is the largest,followed by that in the direction horizontal to the bedding plane(X-axis),and the mean flow velocity in the direction perpendicular to the bedding plane is the smallest.

Continuous-Time Models for Firm Valuation and Their Collateral Effect on Risk-Neutral Probabilities and No-Arbitraging Principle

Extensions of Merton’s model(EMM)considering the firm’s payments and generating new types of firm value distribution are suggested.In the open log-value/time space,these distributions evolve from initially normal to negatively skewed ones,and their means are concave-down functions of time.When payments are set to zero or proportional to the firm value,EMM turns into the Geometric Brownian model(GBM).We show that risk-neutral probabilities(RNPs)and the no-arbitraging principle(NAP)follow from GBM.When firm’s payments are considered,RNPs and NAP hold for the entire market for short times only,but for long-term investments,RNPs and NAP just temporarily hold for individual stocks as far as mean year returns of the firms issuing those stocks remain constant,and fail when the mean year returns decline.The developed method is applied to firm valuation to derive continuous-time equations for the firm present value and project NPV.

The Theoretical Value of Mass of the Light <i>η</i>-Meson via the Quarks’ Geometric Model

Highlighting a golden triangular form in u and d quarks (Quark Geometric Model), we build the geometric structures of light meson η and individualize its decays and spin. By the structure equations describing mesons, we determine a mathematic procedure to calculate the theoretical value of the mass of light mesons η.

Theoretical Spectrum of Mass of the Nucleons: New Aspects of the QM

In this paper, we show a new theoretical procedure for calculating the nucleonic mass values. We develop this procedure on the geometric representation of (u, d) quarks, these seen as golden structures of coupled quantum oscillators (Aureum Geometric Model or AGM). Using AGM, we also build the geometric structures of nucleons (p, n), determining their structure equations and spins. Thank AGM, coherent to QCD, new aspects of the Quantum Mechanics emerge, opening to anew descriptive paradigm in Particle Physics.

A New Hypothesis on the Dark Matter

In this paper, using the AGM model (Aureum Geometric Model), where geometric structures of coupled quantum oscillators represent particles, we formulate a new hypothesis about the origin of the Dark Matter (DM). Highlighting its hadronic nature, we identify the representative particle’s particular geometric structure, the “dark pion”, and calculate its mass. Finally, we propose an experiment for the detection of this particle.

From the Dark Neutron to the Neutron Decay Anomaly and Lithium Cosmologic Problem

In the context of the geometric model of particles (PGM), we show two different forms of the structure of the quark positions making up the neutron: first, an ordinary form, while the second is a “dark” form (difficult to detect). By the “dark” form we attempt of explaining the anomaly of the neutron lifetime (τ) in its decay observed in two different experiments as that in “bottle” and “in beam” and expressed by discrepancy between the two lifetimes (τbottle ≠ τbeam). Using the structure equation of the dark neutron, we calculate its mass. In this framework, two problems can be resolved: the asymmetry between matter and antimatter and the abundance into universe of Lithium 7Li than the 6Li.

A Density Functional Theory Study of the Geometric and Electronic Structure of MgF_2 (110) Surface

Abstract＂ Ab initio density functional theory （DFT） was employed to study geometric and electronic structure of MgF2 （110） surface. Three different clean surface models have been considered. The results show that the surface terminated with one-layer F has the smallest relaxation and the lowest surface energy, which indicates this model is the most energetically favorable structure of MgF2（110） surface. Furthermore, the electronic properties are also discussed from the point of density of states and charge density. Analysis of electronic structure shows that the band gap of the surface is significantly narrowed with respect to the bulk. The electrons of the surface exhibit strong locality and larger effective mass.