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Salvino Ciccariello

Publications and source records attributed to Salvino Ciccariello.

13 recordsLinked to original sources

Algebraic Approximations of a Polyhedron Correlation Function Stemming from its Chord Length Distribution

An algebraic approximation, of order $K$, of a polyhedron correlation function (CF) can be obtained from $γ\pp(r)$, its chord-length distribution (CLD), considering first, within the subinterval $[D_{i-1},\, D_i]$ of the full range of distances, a polynomial in the two variables $(r-D_{i-1})^{1/2}$ and $(D_{i}-r)^{1/2}$ such that its expansions around $r=D_{i-1}$ and $r=D_i$ simultaneously coincide with left and the right expansions of $γ\pp(r)$ around $D_{i-1}$ and $D_i$ up to the terms $O\big(r-D_{i-1}\big)^{K/2}$ and $O\big(D_i-r\big)^{K/2}$, respectively. Then, for each $i$, one integrates twice the polynomial and determines the integration constants matching the resulting integrals at the common end points. The 3D Fourier transform of the resulting algebraic CF approximation correctly reproduces, at large $q$s, the asymptotic behaviour of the exact form factor up to the term $O(q^{-(K/2+4)})$. For illustration, the procedure is applied to the cube, the tetrahedron and the octahedron.

math.GM↗

The chord-length distribution of a polyhedron

We show that the chord-length distribution function $[γ"(r)]$ of any bounded polyhedron has an elementary algebraic form, the expression of which changes in the different subdomains of the $r$-range. In each of these, the $γ"(r)$ expression only involves, as transcendental contributions, inverse trigonometric functions of argument equal to $R[r,\,Δ_1]$, \,$Δ_1$ being the square root of a 2nd-degree $r$-polynomial and $R[x,y]$ a rational function. Besides, as $r$ approaches one boundary point ($δ$) of each $r$-subdomain, the derivative of $γ"(r)$ can only show singularities of the forms $(r-δ)^{-n}$ and $(r-δ)^{-m+1/2}$ with $n$ and $m$ appropriate positive integers. Finally, the explicit algebraic expressions of the primitives are also reported.

math-ph↗

On physical scattering density fluctuations of amorphous samples

Using some rigorous results by Wiener [(1930). {\em Acta Math.} {\bf 30}, 118-242] on the Fourier integral of a bounded function and the condition that small-angle scattering intensities of amorphous samples are almost everywhere continuous, we obtain the conditions that must be obeyed by a function $η(\br)$ for this may be considered a physical scattering density fluctuation. It turns out that these conditions can be recast in the form that the $V\to\infty$ limit of the modulus of the Fourier transform of $η(\br)$, evaluated over a cubic box of volume $V$ and divided by $\sqrt{V}$, exists and that its square obeys the Porod invariant relation. Some examples of one-dimensional scattering density functions, obeying the aforesaid condition, are also numerically illustrated.

physics.class-ph↗

Scattering intensity limit value at very small angles

The existence of the limit of a sample scattering intensity, as the scattering vector approaches zero, requires and is ensured by the property that the mean value of the scattering density fluctuation over volume $V$ asymptotically behaves, at large $V$s, as $νV^{-1/2}$, $ν$ being an appropriate constant. Then, the limit of the normalized scattering intensity is equal to $ν^2$. The implications of this result are also analyzed in the case of samples made up of two homogeneous phases.16 pages, 3 figures

physics.class-ph↗

Small-angle scattering behavior of thread-like and film-like systems

A film-like or a thread-like system is a system such that one of its constituting homogeneous phases has a constant thickness $δ$ or a constant normal section of largest diameter $δ$. The stick probability function of this phase, in the limit $δ\to 0$, naturally leads to the definition of the correlation function (CF) of a surface or a curve. This CF fairly approximates the generating stick probability function in the range of distances larger than $δ$. The surface and the curve CFs respectively behave as $1/r$ and $1/r^2$ as $r \to 0$. In the two cases, this result implies that small-angle scattering intensities of the relevant samples respectively behave as $1/q^2$ and $1/q$ in an intermediate range of the scattering vector $q$ and as $1/q^4$ in the outermost one. One reports the analytic expressions of the pre-factors of these behaviors. It may happen that a sample looks thread-like at large scale resolution and film-like at smaller one. The surface and the curve CFs have explicitly been evaluated for some simple geometrical shapes. Besides, it is also reported the algebraic expression of the circular cylinder CF in terms of two elliptic integral functions, and it is shown that the limits of this CF, as the height or the radius of the cylinder approaches to zero, coincide with the CF of a disk or a linear segment, respectively.

cond-mat.mtrl-sci↗

Thermodynamical equivalence of physical systems

Two different physical systems are said to be thermodynamically equiv- alent if one of the thermodynamic potentials of the first system is pro- portional to the corresponding potential of the second system after expressing the state variables of the first system in terms of those of the second by a transformation reversible throughout the state pa- rameter domain. The thermodynamic equivalence has a transitive nature so that physical systems divide into classes of thermodynam- ically equivalent systems that have similar phase diagrams. A first class of thermodynamically equivalent systems is formed by the ideal classical and quantum Fermi gases, whatever the dimensions of the confining spaces, and the one dimensional hard rod gas. A second class is formed by the physical systems characterized by interactions that coincide by a scaling of the distance and the coupling constant. A third class is formed by the ideal Boses gases in arbitrary spatial dimensions. The thermodynamic equivalence can also be defined in a more general way. By so doing the first and the third class combine into a single class of thermodynamically equivalent systems.

cond-mat.stat-mech↗

Generalization of the Fedorova-Schmidt method for determining particle size distributions

One reports the integral transform that determines the particle size distribution of a given sample from the small-angle scattering intensity under the assumption that the particle correlation function is a polynomial of degree M. The Fedorova-Schmidt solution [J. Appl. Cryst. 11, 405, (1978)] corresponds to the case M = 3. The procedure for obtaining a polynomial approximation to a particle correlation function is discussed and applied to the cases of polidisperse particles of tetrahedral or octahedral or cubical shape.

cond-mat.mtrl-sci↗

The correlation functions of the regular tetrahedron and octahedron

The expressions of the autocorrelation functions (CF) of the regular tetrahedron and the regular octahedron are reported. They have an algebraic form that involves the arctangent function and rational functions of r and (a + b r2)1/2, a and b being appropriate integers and r the distance. The CF expressions make the numerical determination of the corresponding scattering intensities fast and accurate also in presence of a size dispersion.

math-ph↗

The chord-length probability density of the regular octahedron

The chord length probability density of the regular octahedron is explicitly evaluated throughout its full range of distances by separating it into three contributions respectively due to the pairs of facets opposite to each other or sharing an edge or a vertex.

math-ph↗

The isotropic correlation function of plane figures: the triangle case

The knowledge of the isotropic correlation function of a plane figure is useful to determine the correlation function of the cylinders having the plane figure as right-section and a given height as well as to analyze the out of plane intensity collected in grazing incidence small-angle scattering from a film formed by a particulate collection of these cylinders. The correlation function of plane polygons can always be determined in closed algebraic form. Here we report its analytic expression for the case of a triangle. The expressions take four different forms that depend on the relative order among the sides and the heights of the triangle.

math-ph↗

Strongly localized quantum crystalline states and behavior of the dilute jellium model

We name strongly localized quantum crystalline state (SLQCS) a determinantal wave-function of the single-particle wave-functions obtained by crystalline translations of a wave-function different from zero only within a primitive cell of the considered quantum crystalline phase. SLQCSs accurately reproduce the low density behaviour of the quantum crystals that, as Wigner's crystalline phase of the jellium model, can become very dilute. Our analysis explicitly deals with this system. We show that the SLQCS energy per particle at large dilution ($r_s$) behaves as $-M_{dl,σ}/r_s+C_σ/{r_s}^{3/2}$, where $M_{dl,σ}$ turns out to be the Madelung constant of the considered cubic symmetry $σ$ and $C_σ$ is a positive constant only numerically determined. Moreover, as the density gets smaller and smaller, each electron becomes more and more confined to the centre of its cell.

cond-mat.str-el↗

Strongly localized quantum crystalline states of the jellium model

We consider a system made up of N electrons interacting with a neutralizing positive background within a cubic box of volume V. After dividing the box into N (or N/2) cubic cells for the polarized (unpolarized) case, we average the creation field operator over each cell with a suitable weight function and we consider the quantum crystalline states obtained by letting all the average operators act on the vacuum state. These states exclude the possibility that each cell may momentarily contain more than one or two electrons in the polarized or unpolarized case. The expectation value of the Hamiltonian over this class of states is evaluated in the thermodynamic limit and the weight function is chosen in such a way to minimize the expectation value. The involved numerical analysis is explicitly performed with a weight function having a generalized Gaussian shape depending on a parameter. It turns out that the unpolarized and polarized quantum crystalline states yield an energy per particle smaller than the homogeneous Hartree-Fock ones for r_s>90 and r_s>28, respectively. Moreover, for the polarized case, the energy per particle at r_s=100 is -0.01448ryd close {to -0.0153530(8)ryd, the best quantum Monte Carlo value [Drummond et al., Phys. Rev.B {\bf 69}, 085116, (2004)] and this discrepancy measures the correlation contribution neglected in our approximation.

cond-mat.str-el↗

Generalization of a theorem of Carathéodory

Carathéodory showed that $n$ complex numbers $c_1,...,c_n$ can uniquely be written in the form $c_p=\sum_{j=1}^m ρ_j {ε_j}^p$ with $p=1,...,n$, where the $ε_j$s are different unimodular complex numbers, the $ρ_j$s are strictly positive numbers and integer $m$ never exceeds $n$. We give the conditions to be obeyed for the former property to hold true if the $ρ_j$s are simply required to be real and different from zero. It turns out that the number of the possible choices of the signs of the $ρ_j$s are {at most} equal to the number of the different eigenvalues of the Hermitian Toeplitz matrix whose $i,j$-th entry is $c_{j-i}$, where $c_{-p}$ is equal to the complex conjugate of $c_{p}$ and $c_{0}=0$. This generalization is relevant for neutron scattering. Its proof is made possible by a lemma - which is an interesting side result - that establishes a necessary and sufficient condition for the unimodularity of the roots of a polynomial based only on the polynomial coefficients. Keywords: Toeplitz matrix factorization, unimodular roots, neutron scattering, signal theory, inverse problems. PACS: 61.12.Bt, 02.30.Zz, 89.70.+c, 02.10.Yn, 02.50.Ga

math-ph↗