First principle studies on the electronic structures and absorption spectra in KMgF3 crystal with fluorine vacancy

The experiments indicate that the perfect KMgF₃ crystal has no absorption in the visible range, however the electron irradiation induces a complex absorption spectrum. The absorption spectra can be decomposed by five Gaussian bands peaking at 2.5 eV (488 nm), 3.4 eV (359 nm), 4.2 eV (295 nm), 4.6 eV (270 nm) and 5.2 eV (239 nm), respectively. The purpose of this paper is to seek the origins of the absorption bands. The electronic structures and absorption spectra either for the perfect KMgF₃ or for KMgF₃: with electrical neutrality have been studied by using density functional theory code CASTEP with the lattice structure optimized. The calculation results predicate that KMgF₃: also exhibits five absorption bands caused by the existence of the fluorine ion vacancy and the five absorption bands well coincide with the experimental results. It is believable that the five absorption bands are related to in KMgF₃ crystal produced by the electron irradiation.     

The investigation of energy loss and damage in polycarbonate induced by MeV carbon clusters

Carbon cluster ions (n = 1-5) and Cl⁺, Ti⁺, Ni⁺ ions were used to bombard polycarbonate (PC) films. By comparing the electronic energy loss and the number of chromophores at a fixed wavelength, we obtained the electronic energy loss S_e of carbon cluster ions in PC.     

Comparison of secondary ion emission yields for poly-tyrosine between cluster and heavy ion impacts

Emission yields of secondary ions necessary for the identification of poly-tyrosine were compared for incident ion impacts of energetic cluster ions (0.8 MeV , 2.4 MeV , and 4.0 MeV ) and swift heavy monoatomic molybdenum ions (4.0 MeV Mo⁺ and 14 MeV Mo⁴⁺) with similar mass to that of the cluster by time-of-flight secondary ion mass analysis combined with secondary ion electric current measurements. The comparison revealed that (1) secondary ion emission yields per impact increase with increasing incident energy within the energy range examined, (2) the 4.0 MeV impact provides higher emission yields than the impact of the monoatomic Mo ion with the same incident energy (4.0 MeV Mo⁺), and (3) the 2.4 MeV impact exhibits comparable emission yields to that for the Mo ion impact with higher incident energy (14 MeV Mo⁴⁺). Energetic cluster ion impacts effectively produce the characteristic secondary ions for poly-tyrosine, which is advantageous for highly sensitive amino acid detection in proteins using time-of-flight secondary ion mass analysis.     

Absorption and photoluminescence study of Al2O3 single crystal irradiated with fast neutrons

Colour centers formation in Al₂O₃ by reactor neutrons were investigated by optical measurements (absorption and photoluminescence). The irradiation’s were performed at 40 °C, up to fast neutron (E_n > 1.2 MeV) fluence of 1.4 × 10¹⁸ n cm⁻². After irradiation the coloration of the sample increases with the neutron fluence and absorption band at about 203, 255, 300, 357 and 450 nm appear in the UV-visible spectrum. The evolution of each absorption bands as a function of fluence and annealing temperature is presented and discussed. The results indicate that at higher fluence and above 350 °C the F⁺ center starts to aggregate to F center clusters (F₂, F₂⁺ and ). These aggregates disappear completely above 650 °C whereas the F and F⁺ centers persist even after annealing at 900 °C. It is clear also from the results that the absorption band at 300 nm is due to the contribution of both F₂ center and interstitial ions.     

The interaction of antihydrogen with simple atoms and molecules

In this paper, we describe calculations that we have carried out of cross sections for rearrangement processes in very low-energy helium + antihydrogen scattering that result in or or . A significantly more accurate method from that used previously [E.A.G. Armour, S. Jonsell, Y. Liu, A.C. Todd, Nucl. Instr. and Meth. B 247 (2006) 127] is used to calculate the entrance channel wave function. Results are presented for the first two processes. Mention is made of the use of the method in calculations of low-energy e⁺H₂ scattering.     

Reflection properties of small hydrocarbons impinging on tungsten and carbon surfaces

Sticking coefficients of deuterium from are quantified on fusion relevant plasma sprayed tungsten and carbon fibre composite in the incident energy range from about 0-100 eV. The samples that were cut from ASDEX-Upgrade tiles are exposed to a beam of of specific incident energy, E_inc, in the tandem mass spectrometer BESTOF in Innsbruck. Nuclear reaction analysis is performed ex-situ at IPP Garching for the quantification of deuterium content. The deuterium content difference measured on a spot before and after ion-beam exposure of the sample is assigned to the above mentioned species of hydrocarbon molecules sticking on the surface, allowing the calculation of the sticking probability of a specific deuterated molecular ion. The sticking coefficient, S, is found to depend on the incident energy and shows a maximum of about S ∼ 0.4 around E_inc = 30 eV on CFC and about S ∼ 0.1 near E_inc = 20 eV in case of PSW.     

Spectral investigation of colour centres in gamma irradiated lithium fluoride thin films

The stable formation of several colour centres has been investigated in four lithium fluoride polycrystalline thin films irradiated in air by gamma rays with doses from 10³ up to 10⁶ Gy. Careful spectrophotometric measurements allowed estimating the concentrations of primary F defects and aggregate and F₂ laser-active centres only at the two highest doses. These visible-emitting electronic defects were identified through laser-induced photoluminescence spectra even at the lowest doses. For both the F₂ and light-emitting centres, the luminescence signal increases sub-linearly with the irradiation doses.     

Microstructure and dry-sliding wear properties of DC plasma nitrided 17-4 PH stainless steel

An attempt that the precipitation hardening steel 17-4PH was conducted by DC plasma nitriding (DCPN) is made to develop a kind of candidate material for nuclear reactor. Nitriding process performed at temperature ? 400 °C takes effect on creation of the layers composed of S-phase (expanded austenite) and (expanded martensite). Up to the temperature of 420 °C, the S-phase peaks disappear due to the transformation occurrence (S-phase → + CrN). For the samples nitrided at temperature ? 450 °C, no evidence of is found owing to a precipitation () taking place. For the 480 °C/4 h treated sample, it is the surface microhardness that plays the lead role in the wear rate reduction but the surface roughness; while for the 400 °C/4 h treated sample, it is both of the surface roughness and the S-phase formation. Dry sliding wear of the untreated 17-4PH is mainly characterized by strong adhesion, abrasion and oxidation mechanism. Samples nitrided at 400 °C which is dominated by slight abrasion and plastic deformation exhibit the best dry sliding wear resistance compared to the samples nitrided at other temperatures.     

Radiation induced defects in BaBPO5:Ce and their role in thermally stimulated luminescence reactions: EPR and TSL investigations

Defect centers induced by gamma irradiation in Ce doped BaBPO₅ were investigated using EPR spectroscopy. From EPR studies, three phosphorous centered radicals were characterized on the basis of observed ³¹P hyperfine splitting and g values as , and radicals. In addition to this, two types of boron oxygen hole centers (BOHC) and O⁻ were also formed at room temperature. An intense broad signal in sample annealed in argon (g_⊥ = 1.9258 and g_‖ = 1.8839) was assigned to Ce³⁺ ions associated with the electron trapped at anion vacancy or nearby lattice defect. TSL studies showed two glow peaks, a relatively weaker one at 425 K and an intense one at 575 K. Spectral studies of the TSL glow peaks have shown that Ce³⁺ ion acts as emission center. From the temperature dependence of the EPR spectra of gamma irradiated samples, the glow peaks at 425 K and 575 K were attributed to thermal destruction of /O⁻ and BOHC, respectively, by trapping of electrons from elsewhere. The energy released in electron hole recombination process is used for the excitation of Ce³⁺ ions resulting in these glow peaks at 425 K and 575 K. The spectral studies of the TSL glow peaks have shown emission at 330 nm indicating Ce³⁺ acts as the luminescent centre. The trap depth and the frequency factor for the 425 K and 575 K peaks were determined using different heating rates method.     

380 keV proton irradiation effects on photoluminescence of Eu-doped GaN

The effect of 380 keV proton irradiation on the photoluminescence (PL) properties has been investigated for undoped and Eu-doped GaN. As the proton irradiation exceeds , a drastic decrease of PL intensity of the near band-edge emission of undoped GaN was observed. On the other hand, for Eu-doped GaN, the PL emission corresponding to the ⁵D₀→⁷F₂ transition in Eu³⁺ kept the initial PL intensity after the proton irradiation up to . Present results, together with our previous report on electron irradiation results, suggest that Eu-doped GaN is a strong candidate for light emitting devices in high irradiation environment.     

Secondary ion emission from Cu(1 0 0) surfaces with atomic adsorbates (N, O, Cl, S and Br)

Several targets that consist of atomic species X (X = N, O, Cl, S, Br) adsorbed at hollow sites on the Cu(1 0 0) surface have been examined with low-fluence secondary ion mass spectrometry (SIMS). The positive and negative secondary ion (SI) abundance distributions, which show a range of characteristics, have been discussed with the aid of thermochemical data derived from ab initio calculations. In positive SIMS, CuX⁺ is never observed, while the only heteronuclear (mixed-atom) SI that is observed for all five systems is Cu₂X⁺. In negative SIMS, the dominant heteronuclear species for all systems is , except for N/Cu(1 0 0), which produces no , ions. Cu⁻ emission is observed only for O/Cu(1 0 0). By analogy with results from laser ablation studies of O/Cu targets, it is conjectured that Cu⁻ is a daughter product of the gas-phase dissociation of polyatomic Cu-O anion clusters.     

Study of the electronic structures of oxygen doped in LiBaF3 crystal

The most likely substituting positions of impurity oxygen ions in LiBaF₃ crystals are studied using the general utility lattice program (GULP). The calculated results indicate that the main defect model is [] in the O:LiBaF₃ crystal. The electronic structures of the LiBaF₃ crystal with the defect [] are calculated using the DV-Xα method. It can be concluded from the electronic structures that the LiBaF₃ crystal with the defect [] will exhibit a 217-280 nm absorption band and the impurity oxygen will decrease core-valence luminescence yield.