Overrun effects in nuclear fusion within a single Coulomb exploding nanodroplet

We present a theoretical-computational study of intra-nanodroplet (INTRA) collisions, and of dd and dt nuclear fusion driven by nonuniform Coulomb explosion (CE) induced by overrun effects in (D₂)_n and (DT)_n nanodroplets. We explored two systems where distinct overrun effects induce INTRA nuclear reactions: (1) double-pulse ultraintense laser irradiation of homonuclear (D₂)_n nanodroplets, which attain a transient inhomogeneous density profile that serves as a target for the realization of nonuniform CE. Overrun effects between nuclei originating from different spatial regions of the exploding nanodroplet drive INTRA dd fusion; (2) single-pulse ultraintense laser irradiation of heteonuclear (DT)_n nanodroplets, which results in kinematic overrun effects driving INTRA dt fusion. We utilized scaled electron and ion dynamics simulations to explore the inner and outer ionization electron dynamics, the time dependent deuteron and triton density profiles, the velocities of nuclei and the INTRA fusion yields in the two systems. In system (1) we identify the formation of a localized “overrun shell” at the periphery of the exploding nanodroplet, which is characterized by a narrow spatial range of the fusion generation function, by maxima in the local density and in the spatially averaged local velocity, as well as in the bifurcation of the local velocities, which manifests overrun effects. In system (2) we identify a marked local density enhancement with dt fusion occurring within most of the entire volume of the exploding nanodroplet without shell formation. The four-orders-of-magnitude increase of the dt fusion yield in the one-pulse irradiated (DT)_n nanodroplet, as compared with the two-pulse irradiated (D₂)_n nanodroplet, originates from cumulative effects of density and cross section enhancement.     

T–T Neutron Spectrum from Inertial Confinement Implosions

A new technique that uses inertial confinement implosions for measuring low-energy nuclear reactions important to nuclear astrophysics is described. Simultaneous measurements of n–D and n–T elastic scattering at 14.1 MeV using deuterium–tritium gas-filled capsules provide a proof of principle for this technique. Measurements have been made of D(d,p)T (dd) and T(t,2n)⁴He (tt) reaction yields relative to the D(t,n)⁴He (dt) reaction yield for deuterium–tritium mixtures with f _T /f _D between 0.62 and 0.75 and for a wide range of ion temperatures to test our understanding of the implosion processes. Measurements of the shape of the neutron spectrum from the T(t,2n)⁴He reaction have been made for each of these target configurations.     

Growth of crystalline/amorphous biphase Sm-Fe-Ta-N magnetic nanodroplets

Thin films of biphase (amorphous/crystalline) magnetic Sm-Fe-Ta-N nanodroplets were fabricated at room temperature with 157 nm pulse laser deposition in nitrogen from a Sm_13.8Fe_82.2Ta_4.0 target. The 50-100 nm biphase spherical nanodroplets consist of a 5-10 nm internal crystal portion surrounded by the external amorphous phase. Nitrogen fixation in the nanodroplets occurred in the plume. The films exhibit a ferromagnetic response of 2.5 kOe coercivity at room temperature. With further annealing and thermal treatment in nitrogen, the coercivity was increased to 5.0 kOe. The surrounding amorphous layer prevents post-ablation oxidization of the crystalline magnetic nucleus of the nanodroplet.     

Mössbauer and XRD study of pulse plated Fe–P and Fe–Ni thin layers

⁵⁷Fe conversion electron Mössbauer spectroscopy, X-ray diffraction, electrochemical and magnetic measurements were used to study pulse electroplated Fe–P and Ni–Fe coatings. XRD and ⁵⁷Fe CEMS measurements revealed the amorphous character of the novel pulse plated Fe–P alloys. CEM spectra indicated significant differences in the short range order and in the magnetic anisotropy between the Fe–P deposits pulse plated at medium long deposition time (t _on?=?2 ms), with short relaxation time (t _off?=?9 ms) and low current density (I _p?=?0.05 Acm^?2) or at short deposition time (t _on?=?1 ms) with long relaxation time (t _off?=?250 ms) and high current density (I _p?=?1.0 Acm^?2). The broad peaks centred around the fcc reflections in XRD of the pulse plated Ni-22 wt.% Fe deposit reflected a microcrystalline Ni–Fe alloy with a very fine, 5–8 nm, grain size. The CEM spectrum of the pulse plated Ni-22 wt.% Fe coating corresponded to a highly disordered solid solution alloy containing a minute amount of ferrihydrite. Extreme favourable soft magnetic properties were observed with these Ni–Fe and Fe–P pulse plated thin layers.     

Experimental Investigation of Subcooled Vertical Upward Flow Boiling in a Narrow Rectangular Channel

Accurate models for the onset of nucleate boiling, density of active nucleation sites (N_a), bubble departure size (D_d), and departure frequency (f_d) are essential to the success of computational fluid dynamics analysis of two-phase thermal-hydraulics involving subcooled flow boiling in nuclear reactor systems. This work presents an experimental study of subcooled flow boiling in a vertical upward narrow rectangular channel that mimics the flow passage in the plate fuel assembly of boiling water reactors. The experiments are conducted over a range of mass flux (G = 122–657 kg/m²s), inlet subcooling (ΔT_sub = 4.7–33.3?C), and heat flux (q″ = 1.7–28.9 W/cm²). Based on the experimental data, empirical correlations are developed for the prediction of onset of nucleate boiling, N_a, D_d, and f_d for given flow conditions. These correlations are valid in the nucleate boiling regime when the wall superheat is less than 12°C and can be incorporated in the computational fluid dynamics codes to enable more precise simulation of subcooled flow boiling heat transfer and two-phase flow in nuclear energy applications.     

High pressure-assisted encapsulation of vitamin D2 in reassembled casein micelles

For the encapsulation of vitamin D₂, native casein micelles and vitamin D₂ with or without additional Ca²⁺–P_i were treated at 600 MPa and 37 °C for 60 min. The pressure release rate was set at 20 or 600 MPa/min. Vitamin D₂ was quantified by reversed-phase high-performance liquid chromatography, and physical properties of the micelles were analysed by photon correlation spectroscopy. The results demonstrate that simultaneous application of Ca²⁺–P_i and high pressure treatment with a fast release rate significantly increased loading of vitamin D₂ per casein by 6.9-fold. The addition of Ca²⁺–P_i enhanced micelle aggregation and the vitamin was entrapped within the formed aggregates. However, high pressure treatment without Ca²⁺–P_i with a slow pressure release rate revealed similar results, increasing vitamin D₂ per casein by 6.7-fold. The vitamin D₂ loading in reassembled casein micelles is supposed to be due to hydrophobic interactions between the hydrophobic domains of the micelles.     

Two-step excitation of Rb atoms on He nanodroplets

We present the first sequential laser excitation of atom-doped helium nanodroplets. Rubidium atoms on the surface of helium nanodroplets are selectively excited with a continuous wave laser to the 5²P_1/2 state so as not to desorb from the nanodroplets. From there they are excited by a laser pulse to the 5²D state; a laser-induced fluorescence (LIF) spectrum is recorded by monitoring the 6²P ?\rightarrow 5²S_1/2 emission. The LIF spectrum differs from that of the two-photon one-color direct excitation spectrum 5²D ?\leftarrow 5²S_1/2, indicating that the system does relax vibrationally during the lifetime of the 5²P_1/2 state. To model the LIF spectra we use calculated energy levels of the Rb atom as a function of its distance R from the center of the helium nanodroplet. The Franck-Condon factors of the resulting potential energy curves agree with the experimental spectra. In the future the 5²P_1/2 state can be used as a springboard to reach high-lying ²S and ²D states, and possibly create an artificial super-atom.     

Blue and infrared stimulated emission from alkali vapors pumped through two-photon absorption

The 5 ²D_3/2, 5 ²D_5/2, and 7 ²S_1/2 states of rubidium and the 7 ²D_3/2, 7 ²D_5/2, and 9 ²S_1/2 states of cesium were populated at low pressure by two photon excitation using a pulsed dye laser. Blue beams from the Rb 6 ²P_{3/2, 1/2}–5 ²S_1/2 and Cs 7 ²P_{3/2, 1/2}–6 ²S_1/2 transitions were observed. In addition, infrared beams were observed arising directly from the pumped ²D states, establishing a collisionless cascade mechanism. Threshold is modest at about 0.3 mJ/pulse or 2×10⁵ W/cm². Slope efficiencies increase dramatically with alkali concentration and peak at 0.4%, with considerable opportunity for improvement. This versatile system might find applications in both underwater communications and for infrared counter measures.     

Finite size and surface effects on the magnetic properties of cobalt ferrite nanoparticles

Cobalt ferrite, CoFe₂O₄, nanoparticles in the size range 2–15 nm have been prepared using a non-aqueous solvothermal method. The magnetic studies indicate a superparamagnetic behavior, showing an increase in the blocking temperatures (ranging from 215 to more than 340 K) with the particle size, D _TEM. Fitting M versus H isotherms to the saturation approach law, the anisotropy constant, K, and the saturation magnetization, M _S, are obtained. For all the samples, it is observed that decreasing the temperature gives rise to an increase in both magnetic properties. These increases are enhanced at low temperatures (below ~160 K) and they are related to surface effects (disordered magnetic moments at the surface). The fit of the saturation magnetization to the T ² law gives larger values of the Bloch constant than expected for the bulk, increasing with decreasing the particle size (larger specific surface area). The saturation magnetization shows a linear dependence with the reciprocal particle size, 1/D _TEM, and a thickness of 3.7 to 5.1 Å was obtained for the non-magnetic or disordered layer at the surface using the dead layer theory. The hysteresis loops show a complex behavior at low temperatures (T ≤ 160 K), observing a large hysteresis at magnetic fields H > ~1000 Oe compared to smaller ones (H ≤ ~1000 Oe). From the temperature dependence of the ac magnetic susceptibility, it can be concluded that the nanoparticles are in magnetic interaction with large values of the interaction parameter T ₀, as deduced by assuming a Vogel–Fulcher dependence of the superparamagnetic relaxation time. Another evidence of the presence of magnetic interactions is the almost nearly constant value below certain temperatures, lower than the blocking temperature T _b, observed in the FC magnetization curves.     

Light-Front Zero-Mode Issue for the Transition Form Factors Between Pseudoscalar and Vector Mesons

We study the light-front zero-mode contribution to the transition form factors (g, f, a _±, T _i ) (i = 1, 2, 3) for the exclusive semileptonic P → V ?ν _? and rare P → V ? ⁺?^? decays using a covariant fermion field theory model in (3+1) dimensions. While the zero-mode contribution in principle depends on the form of the vector meson vertex Γ ^μ  = γ ^μ ? (2k ? P _V ) ^μ /D, the six form factors (g, f, a ₊, T ₁, T ₂, T ₃) are found to be free from the zero mode if the denominator D contains the term proportional to the light-front longitudinal momentum fraction factor (1/x) ⁿ of the struck quark with the power n > 0. Although the form factor a _? is not free from the zero mode, the zero-mode contribution comes only either from the simple vertex Γ ^μ  = γ ^μ term or from the other term just with a constant D (i.e. n = 0). We identify the zero-mode operator that is convoluted with the initial- and final-state valence wave functions to generate the zero-mode contribution to a _?.     

Surface nanostructure effects on optical properties of Pb(Zr x Ti1−x )O3 thin films

Optical scattering properties of nanostructured matter have crucial impact on performance efficiency of various photonic components, such as waveguides, display elements, and solar cells. In this paper, diffuse transmission properties of nanocrystalline Pb(Zr _x Ti_1?x )O₃ thin films with a high refractive index of ~2.5 and optical transmittance are presented. Thin films with a thicknesses ranging from 50 to 500 nm were studied using integrating sphere technique and results were compared to simulations performed by a scalar scattering theory. Thin films were deposited by pulsed laser deposition at room temperature on MgO(100) substrates and post-annealed at a temperature of 800 °C. Structural phase evolution-induced surface effects, which introduced periodicity on the film surface, cause the definite diffuse elements in transmission spectra of the films. Low and evenly distributed scattering amplitudes in k-space were seen for highly tetragonal- or trigonal-oriented films with non-textured surfaces, which led to low diffuse transmission values (T _D ≈ 5 %), while confined and increased scattering amplitudes in k-space were seen for tetragonal–trigonal-oriented films, with phase co-existence, which led to microstructure-induced textured surfaces and increased diffuse transmission values (T _D ≈ 50 %). For highly textured surfaces, scattering amplitudes distributed in tilted ellipsoid shape in k-space was observed. Difference between modeled and measured values was 3.8 % in maximum.     

Formation of Fe i –B pairs in silicon at high temperatures

We report on the detection of Fe _i –B pairs in heavily B doped silicon using ⁵⁷Fe emission Mössbauer spectroscopy following implantation of radioactive ⁵⁷Mn⁺ parent ions (T _1/2?=?1.5 min) at elevated temperatures >?850 K. The Fe _i –B pairs are formed upon the dissociation of Fe _i –V pairs during the lifetime of the Mössbauer state (T _1/2?=?100 ns). The resulting free interstitial Fe_i diffuses over sufficiently large distances during the lifetime of the Mössbauer state to encounter a substitutional B impurity atom, forming Fe _i –B pairs, which are stable up to ～1,050 K on that time scale.     

First principles calculation of boron diffusion in fcc-Fe

The diffusion mechanism of boron in fcc-Fe was studied by first-principles calculations. The sites where B atoms tend to occupy and the diffusion behavior were calculated. Results indicated that the main mechanism of boron diffusion in fcc-Fe was the B–monovacancy complex mechanism instead of the interstitial mechanism. The diffusion coefficient D₁ of the B–monovacancy complex mechanism was calculated without considering the backward jump of the B atoms. The calculated D₁ = 1.26 × 10⁻⁴ × exp(^–2.01eV/k_BT) m²·s⁻¹ is consistent with the reported results from experiments.     

High-pressure optical studies of Y2O3:Eu3+ nanoparticles

Abstract

The fluorescence spectra of Y₂O₃:Eu³⁺ nanoparticles have been measured under the pressure of up to 78 kbar at room temperature. In this pressure range, a red-shift of 0.02(1) nm/kbar^?1 is noticed for the 0–2 line (⁵D₀→⁷F₂ transition). This shift is explained by the change of negative charge of the surrounding ligands. Compatibility between measured and calculated values for the 0–2 line position was obtained. The luminescence decay curves of the ⁵D₀→⁷F₂ transition were studied up to 78 kbar and were found to behave exponentially for all pressures studied. The fluorescence lifetime τ for the 0–2 line (⁵D₀→⁷F₂ transition) slowly decreased with pressure. The pressure effect on τ for the 0–2 line (⁵D₀→⁷F₂ transition) was explained by a model which considers the pressure effect on the line position, inter-ionic distance, ion volume and polarizability, molecular volume and polarizability, molecular refractive index and the refractive index medium n _med of the surrounding hydrostatic medium. The fluorescence lifetime calculated by the present model is in close correspondence with the experimental values.     

Role of charge-transfer complexes in oxygen quenching of excited states of anthracene derivatives in the gas phase

Oxygen quenching of excited triplet and singlet states of gas-phase anthracene and its derivatives that have similar energies of the lower triplet levels but widely different oxidation potentials (0.44 < E_ox < 1.89 V) was studied. Quenching rate constants for singlet (k_S^O2) and triplet (k_T^O2) states in addition to the fraction of oxygen-quenched singlet and triplet states q_{S 1}(T₁^O2 were determined from the decay rates, fluorescence intensities, and delayed fluorescence as functions of oxygen pressure. It was found that k_S^O2 values vary from 2·10⁴ (9,10-dicyanoanthracene) to 1.2·10⁷ sec⁻¹·torr⁻¹ (anthracene, 9-methylanthracene, 2-aminoanthracene) and k_S^O2 values from 5·10² to 1·10⁵ sec⁻¹·torr⁻¹. The k_S^O2 values for anthracene, 9-methylanthracene, and 2-aminoanthracene, which have fast rates of interconversion from S₁ to T₁, are close to the rate constants for gas-kinetic collisions and are independent of the oxidation potentials (E_ox). The quenching rate constants k_S^O2 for the other anthracene derivatives and k_T^O2 for all studied compounds decrease with increasing free energy of electron transfer ΔG_ET, which indicates the important role of charge-transfer interactions in the oxygen quenching of singlet S_1- and triplet T₁ states. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 1, pp. 36–42, January–February, 2008.     

Characterization of organic–inorganic hybrid layered perovskite and intercalated compound (n-C12H25NH3)2ZnCl4

We report on some electrical properties and solid–solid phase transitions of organic–inorganic hybrid layered halide perovskite and intercalated compound (n-C₁₂H₂₅NH₃)₂ZnCl₄ which is one member of the long-chain compounds of the series (n-C_nH_2n+1NH₃)_2,(n = 8–18). The complex dielectric permittivity ?*(ω,T) and the ac conductivity σ (ω,T) were measured as functions of temperature 100 K < T < 390 K and frequency 5 kHz < f < 100 kHz. Moreover, the differential scanning calorimetery and the differential thermal analysis thermograms were performed. The analysis of our data confirms the existence of a structural phase transition at T ≈ (362?±?2) K, where the compound changes its state from intercalation to non-intercalation with a drastic increase in the c-axis by about 16.4%.

The behavior of the frequency-dependent conductivity follows the Jonscher universal power law: σ (ω, T) α?^s(?,T). The mechanism of electrical conduction in the low-temperature phase (phase II) can be described as quantum mechanical tunneling model.     

The B 2Σ+–X 2Σ+ Transition of 12C17O+: The 2‐υ″ Progression

Abstract

Three new bands of the B ²Σ⁺–X ²Σ⁺ system of ¹²C¹⁷O⁺ have been investigated using conventional spectroscopic techniques. The spectra were observed in a graphite hollow‐cathode lamp by discharging molecular oxygen (enriched in about 45% of the ¹⁷O₂ isotope) under 1.0 Torr pressure. The rotational analysis of the 2–4, 2–5, and 2–6 bands was performed with the effective Hamiltonian of Brown (Brown et al., J. Mol. Spectrosc. 1979; 74: 294–318). Molecular constants were derived from a merge calculation, including both the current wavenumbers and the spectroscopic data published by the authors previously. The principal equilibrium constants for the ground state of ¹²C¹⁷O⁺ are ω_e=2185.9658(84), ω_e x _e = 14.7674(11), B _e=1.927001(38), α_e=1.8236(22)×10^?2, γ_e=?0.331(28)×10^?4, D _e=6.041(12)×10^?6, β_e=0.100(31)×10^?7 cm^?1, and the equilibrium constants for the excited state are σ_e=45876.499(15), ω_e=1712.201(12), ω_e x _e=27.3528(39), B _e=1.754109(35), α_e=2.8706(57)×10^?2, γ_e = ?1.15(19)×10^?4, D _e=7.491(20)×10^?6, β_e=2.13(12)×10^?7, γ_e = 2.0953(97)×10^?2, and α_γe=?9.46(59)×10^?4 cm^?1, respectively. Rydberg–Klein–Rees potential energy curves were constructed for the B ²Σ⁺ and X ²Σ⁺ states of this molecule, and Franck–Condon factors were calculated for the vibrational bands of the B–X system.     

Elastic,piezoelectric and dielectric properties of ZnO and CdS single crystals in a wide range of temperatures

A complete set of elastic, piezoelectric and dielectric constants of ZnO and CdS at room temperature was determined by the method of resonance-antiresonance. Elastic constants s^E₁₁, s^E₁₂, s^E₅₅, c^D₃₃, c^D₅₅, coefficients of electromechanical couplingk₃₁, k₁₅, k_t and dielectric constants ε^T₁₁, ε^T₃₃ of ZnO single crystals were determined in the temperature range 4.2–800 K. Elastic constants s^E₁₁, s^E₁₂, s^D₃₃, s^E₅₅, s^D₃₃, s^D₅₅, coefficients of electromechanical coupling k₃₁, k₃₃, k₁₅, k_t and dielectric constants ε^T₁₁, ε^T₃₃ of CdS single crystals were determined in the temperature range 4.2–300 K.     

Structure and properties of the anions MF4−, MCl4− and MBr4− (M = C,Si, Ge)

Density functional theory (DFT), Møller–Plesset (MP2) and coupled cluster with single and double substitutions including non-iterative triple excitations (CCSD(T)) calculations on the anions MX₄^?, with M = C, Si, Ge and X = F, Cl, Br, show that GeF₄^?, SiCl₄^?, GeCl₄^? and SiBr₄^? prefer a C_2v conformation, but CCl₄^? is an elongated C_3v structure. CBr₄^? has T_d symmetry in MP2, but is slightly more stable in elongated C_3v form with DFT and CCSD(T). GeBr₄^? has T_d symmetry. CF₄^? and SiF₄^? are unstable with respect to loss of an electron. Vertical electron affinities (EAs) are negative also for CCl₄ and SiCl₄, and close to zero for GeF₄ and SiBr₄. Adiabatic EAs range from 0.47 eV for SiCl₄ to 1.78 eV for GeBr₄. The lowest excited states at T_d symmetry are ²T₂ resonances with energies of 2.1–3.5 eV, resulting from excitation of the a₁ singly occupied molecular orbital to vacant t₂ orbitals. Vertical excitation energies (VEEs) and vibrational frequencies are given for the most stable anionic geometries. Comparison with experimental VEEs for CCl₄^? is made. From dissociation energies of MX₄, MX₄^?, MX₃ and MX₃^?, appearance energies of X^?, MX₃^?, X₂^? and MX₂^? were calculated. Most were found to be in reasonable agreement with experimental values. Theoretical spin densities and g-factors have been compared with experimental results available for CCl₄^?, SiCl₄^? and GeCl₄^?.