Atom probe tomography analysis of radiation-induced solute clustering in austenite stainless steels

Various types of defects are produced by the irradiation of energetic particles onto a structural material. The large number of mobile vacancies and self-interstitial atoms during irradiation induce defect fluxes and the diffusion of solute atoms in the matrix. The preferential interaction between the solute atoms and radiation-induced defects leads to the enrichment/depletion or clustering of the solutes at defect sinks. In the current work, atom probe tomography (APT) was used for the analysis of radiation-induced solute clustering in ion-irradiated austenite stainless steel 316. Quantitative analysis of the localised clustering of chemical elements was implemented and a parameter selection procedure was proposed. The number density and size distribution of Si clusters in APT specimens irradiated at various temperatures were examined. At high temperature, the number density of the clusters decreased and their size increased. The localized Si atoms in variously shaped defects were clearly identified. The APT method was demonstrated to be suitable for identifying defect structures and for the quantitative analysis of clustering in irradiated specimens.     

Atom probe tomography of size‐controlled phosphorus doped silicon nanocrystals

Doping of silicon nanocrystals is essential to control their electronic and optical properties. The incorporation of an impurity into a silicon nanovolume is a nontrivial task due to the self‐purification effect. Here, a systematic atom probe tomography study of the phosphorus distribution and incorporation in size‐controlled silicon nanocrystals embedded in silicon dioxide is presented. Qualitatively, it turns out that the phosphorus distribution in the system follows a universal, nanocrystal‐size independent trend: phosphorus‐enrichment at the interface with a substantial phosphorus‐incorporation in the silicon nanocrystal as small as 2 nm in diameter. This clearly contradicts strict self‐purification. These observations are explained by the bulk‐solubility and ‐segregation behaviour, kinetic effects related to the diffusion lengths, and nanoscale interface strain. The quantitative determination of the amount of phosphorus atoms per quantum dot enables a systematic understanding of phosphorus‐induced effects on optical and electronic properties of silicon nanovolumes.     

Optical constants of particulate minerals from reflectance measurements: The case of calcite

In this work we describe a new method for the derivation of the optical constants of a particulate sample by means of the Hapke theory, starting from directional-hemispherical reflectance measurements. This approach has been applied to calcite fine grains, whose spectra have been obtained in our laboratory in the spectral range .     

Atom probe tomography of 15Kh2MFA Cr–Mo–V steel surveillance specimens

An atom probe study has been performed on 15Kh2MFA base and 10KhMFT weld metal surveillance specimens from a VVER-440/213C reactor to investigate the mechanisms that produce embrittlement in low copper materials during service. The composition of the base metal was Fe-0.06 at.% Cu, 3.1% Cr, 0.34% V, 0.46% Mn, 0.35% Mo, 0.07% Ni, 0.34% Si, 0.74% C, 0.025% P, and 0.028% S. The base material was characterized after thermal aging for 10 years at 295°C and after neutron irradiation at 270°C for 10 years to a fluence of 1.0×10²⁵ m⁻² (E>0.5 MeV). The ductile-to-brittle transition temperatures (DBTT) of the base metal were −49, −70 and 141°C, for the unirradiated, thermally aged and neutron irradiated conditions, respectively. The composition of the weld metal was Fe-0.05 at.% Cu, 1.46% Cr, 0.22% V, 1.11% Mn, 0.29% Mo, 1.17% Si, 0.17% C, 0.02% P, and 0.029% S. The weld material was characterized after tempering for 18 h at 690°C plus a simulated stress relief treatment of 43.5 h at 680°C, after thermal aging for 5 years at 295°C, and after neutron irradiation at 275°C for 5 years to a fluence of 5.2×10²⁴ m² (E>0.5 MeV). The DBTTs were 7, 11 and 123°C, respectively, for these three conditions. A high number density of ultrafine manganese- and silicon-enriched regions was observed in both neutron-irradiated materials. Phosphorus segregation was observed at the VC-matrix interface and at grain boundaries.     

Ultrasonic-assisted production of precipitated calcium carbonate particles from desulfurization gypsum

This study aimed to investigate the effect of ultrasonic application on the production of precipitated calcium carbonate (PCC) particles from desulfurization gypsum via direct mineral carbonation method using conventional and venturi tube reactors in the presence of different alkali sources (NaOH, KOH and NH₄OH). The venturi tube was designed to determine the effect of ultrasonication on PCC production. Ultrasonic application was performed three times (before, during, and after PCC production) to evaluate its exact effect on the properties of the PCC particles. Scanning electron microscope (SEM), X-ray diffraction (XRD), Atomic force microscope (AFM), specific surface area (SSA), Fourier transform infrared spectrometry (FTIR), and particle size analyses were performed. Results revealed the strong influence of the reactor types on the nucleation rate of PCC particles. The presence of Na⁺ or K⁺ ions in the production resulted in producing PCC particles containing only calcite crystals, while a mixture of vaterite and calcite crystals was observed if NH₄⁺ ions were present. The use of ultrasonic power during PCC production resulted in producing cubic calcite rather than vaterite crystals in the presence of all ions. It was determined that ultrasonic power should be conducted in the venturi tube before PCC production to obtain PCC particles with superior properties (uniform particle size, nanosized crystals, and high SSA value). The resulting PCC particles in this study can be suitably used in paint, paper, and plastic industries according to the ASTM standards.     

Carbon K‐edge spectra of carbonate minerals

Carbon K‐edge X‐ray spectroscopy has been applied to the study of a wide range of organic samples, from polymers and coals to interstellar dust particles. Identification of carbonaceous materials within these samples is accomplished by the pattern of resonances in the 280–320 eV energy region. Carbonate minerals are often encountered in the study of natural samples, and have been identified by a distinctive resonance at 290.3 eV. Here C K‐edge and Ca L‐edge spectra from a range of carbonate minerals are presented. Although all carbonates exhibit a sharp 290 eV resonance, both the precise position of this resonance and the positions of other resonances vary among minerals. The relative strengths of the different carbonate resonances also vary with crystal orientation to the linearly polarized X‐ray beam. Intriguingly, several carbonate minerals also exhibit a strong 288.6 eV resonance, consistent with the position of a carbonyl resonance rather than carbonate. Calcite and aragonite, although indistinguishable spectrally at the C K‐edge, exhibited significantly different spectra at the Ca L‐edge. The distinctive spectral fingerprints of carbonates provide an identification tool, allowing for the examination of such processes as carbon sequestration in minerals, Mn substitution in marine calcium carbonates (dolomitization) and serpentinization of basalts.     

Raman spectroscopy of hydroxy nickel carbonate minerals nullaginite and zaratite

Raman spectroscopy combined with infrared spectroscopy has been used to study the minerals, nullaginite and zaratite. Raman bands are observed at 3650, 3556 and 3309 cm⁻¹ for nullaginite and 3609, 3516 and 3336 cm⁻¹ for zaratite. By using a Libowitzky‐type empirical function, estimation of the hydrogen‐bond distances of the OH and water units has been made, which vary from 0.268 to 0.332 nm. Hydrogen‐bond distances of OH units are less than those for the water units. The observation of multiple asymmetric stretching and bending modes for nullaginite suggests that the carbonate is strongly distorted in contrast to zaratite for which only single bands are found. Raman bands at around 935 and 980 cm⁻¹ are assigned to OH deformation modes. Copyright © 2008 John Wiley & Sons, Ltd.     

利用“APT”技术鉴别各种31C-H基

本文介绍了用于FT-80A NMR谱仪的EDIT技术的原理、使用方法和主要参数的设置。从实际中总结出APT参数组中的关键参数LT值的设置是:当LT=6,7或8ms时,得到正常APT¹³C谱;当LT=4ms时,CH₃碳信号消失;当LT=2.9或3ms,季碳信号的强度大大增强。这一规律普遍适用(炔类衍生物未做测试)。     

原子光学讲座 第三讲 非线性原子光学

随着玻色-爱因斯坦凝聚（BEC）的实现及其非线性效应研究的快速发展，原子光学的一门新兴分支学科——“非线性原子光学”已初步形成，并取得了一系列重大的实验进展．文章重点介绍了非线性原子光学的研究内容、实验结果及其最新进展，主要包括原子孤子、原子物质波中的四波混频、光速减慢与负群速现象、超流及涡流（vortex）、Josephson效应和物质波的相位相干放大等．     

三能级运动原子与单模场相互作用系统中场(原子)熵的演化

在共振和远离共振情况下,具体讨论了初始平均光子数、原子运动和场模结构参数对三能级运动原子与单模场相互作用系统中场(原子)熵演化的影响.结果显示:原子运动导致场熵演化具有周期性,这种周期性并不依赖场的统计分布和强度而是依赖于原子运动和场模结构参数εp.不论是共振情况还是远离共振情况,在选取合适的参数εp(这种选取在实验上是可能的)时,我们都能得到较长时间的纯态光场.     

Transient behavior of the thermal ion emission from KCl(0 0 1) upon polarity reversal of the electric extraction field

The technique of polarity reversal of the external electric extraction field (strength: 10² V/cm) was applied to study the relaxation of the thermal ion emission from the KCl(0 0 1) single crystal surface. Transient currents of the K⁺ and K₂Cl⁺ ions upon switching from the emission suppression to the ion extraction mode were recorded as a function of the evaporation time, the temperature, and the time of field reversal. The temperature dependence of the time constants of the K⁺ ions obtained from the exponential decreases of the emission currents to their steady-state emission resulted as logτ_h(s)=−(13.39±0.56)+(12.42±0.49)10³/T in a high temperature interval of 826–930 K after a prolonged heating period and as logτ_l(s)=−(20.65±1.04)+(16.77±0.81)10³/T in a low temperature interval of 750–801 K at the initial stage of evaporation, with corresponding activation energies of E_h(K⁺)=2.47±0.14 eV and E_l(K⁺)=3.32±0.16 eV, respectively. The transient currents can be interpreted by a partial adsorption of the suppressed ion currents at the kinks of the surface steps. The differences in the high- and low-temperature runs may be attributed to a strong coarsening of the surface at higher temperatures, which occurs as a bunching of monosteps to macrosteps and/or to an enrichment and segregation of divalent impurities at the surface. The transient behavior of the molecular K₂Cl⁺ ions seems to be strongly correlated with that of the K⁺ ions. This correlation is possibly caused by changes of the strength or the sign of the local electrical field connected with the excess charge at the kinks.     

Contributions of atom probe tomography to the understanding of nickel-based superalloys

Atom probe tomography enables atomic level microstructural characterization to be performed on complex engineering materials such as superalloys. The technique provides information on the size, morphology and compositions of coexisting phases, the solute partitioning of the elements between the phases, and solute segregation to interfaces and grain boundaries. This information leads to a more complete understanding of nickel-based superalloys. The types of atomic level information that may be obtained with atom probe tomography are illustrated with examples of the formation of fine γ precipitates within the central region of the γ′ phase in PW 1480, the evolution of the dual γ′/γ″ nature of secondary precipitates in alloy 718, the interphase precipitation of the γ′ phase at the primary γ″–γ interface in alloy 718, and the quantification of the level and spatial extent of the boron segregation at grain boundaries in a nickel–molybdenum superalloy.     

HgCl (B-X) Chemiluminescence from Alkali Atom - HgCl2 Reactions

Laser action on the B²Σ⁺ _1/2 → X²Σ⁺ _1/2 band of HgCl at 557.6 nm (v′=0→v″=22) has previously been achieved under a variety of electronic and optical excitation mechanisms. This letter describes a chemical mechanism for producing excited HgCl. We report on the gas phase reaction between alkali atoms (K, Rb, and Cs) and HgCl₂ which produces HgCl (B-X) emission.     

Synthesis of anionic clay minerals (mixed metal hydroxides,hydrotalcite)

A number of approaches to the synthesis of a class of anionic clay minerals (M_a²⁺M_b³⁺ (OH)_2a+2b(X⁻)_2b ·xH₂O; M²⁺ = Mg, Ni, Co, Zn, Cu, etc.; M³⁺ = Al, Cr, Fe, Sc; M²⁺/M³⁺ ∼ 1−5; X⁻ = water and base stable anion; x = 0−6) have been sumarized. The most general method involves the mixing of a concentrated, aqueous solution of M²⁺ and and M³⁺ with aqueous hydroxide-carbonate to yield an amorphous gel followed by crystallization at 60–325°. For a number of these materials, the synthetic latitudes with respect to the nature of M²⁺, M³⁺, the M²⁺/M³⁺ ratio, the solution pH and the crystallization temperature has been detailed. The crystallization temperature and time influences the particle size, morphology, surface area and the appearance of foreign phases. The incorporation of various interstitial anions by exchange or synthesis is discussed.     

SU（2）相干态场与二能级原子的非简并双光子相互作用

研究了双模ＳＵ（２）相干态场与腔中二能级原子的非简并双光子相互作用。用数值计算讨论了ＳＵ（２）光场的反关联特性对原子动力学行的影响及场的量子统计性质时间的演化。     

Low-E probe for (19)F-(1)H NMR of dilute biological solids

Sample heating induced by radio frequency (RF) irradiation presents a significant challenge to solid state NMR experiments in proteins and other biological systems, causing the sample to dehydrate which may result in distorted spectra and a damaged sample. In this work we describe a large volume, low-E (19)F-(1)H solid state NMR probe, which we developed for the 2D (19)F CPMG studies of dilute membrane proteins in a static and electrically lossy environment at 600MHz field. In (19)FCPMG and related multi-pulse (19)F-(1)H experiments the sample is heated by the conservative electric fields E produced in the sample coil at both (19)F and (1)H frequencies. Instead of using a traditional sample solenoid, our low-E (19)F-(1)H probe utilizes two orthogonal loop-gap resonators in order to minimize the conservative electric fields responsible for sample heating. Absence of the wavelength effects in loop-gap resonators results in homogeneous RF fields and enables the study of large sample volumes, an important feature for the dilute protein preparations. The orthogonal resonators also provide intrinsic isolation between the (19)F and (1)H channels, which is another major challenge for the (19)F-(1)H circuits where Larmor frequencies are only 6% apart. We detail steps to reduce (19)F background signals from the probe, which included careful choice of capacitor lubricants and manufacture of custom non-fluorinated coaxial cables. Application of the probe for two-dimensional (19)F CPMG spectroscopy in oriented lipid membranes is demonstrated with Flufenamic acid (FFA), a non-steroidal anti-inflammatory drug.     

密度泛函理论研究碱金属原子在完美氧化镁(001)表面的吸附

基于平面波赝势法的密度泛函理论系统地研究了孤立碱金属原子(锂、钠、钾、铷、铯)在完美氧化镁(001)表面的吸附. 锂在氧位表面上的吸附能是0.72 eV,大约是其它碱金属的3倍. 锂和表面氧之间较强的相互作用主要是来源于共价键的作用,这可由态密度和差分电荷密度的分析所证实. 讨论碱金属在MgO(001)表面吸附的成键机理.     

Infrared probe of itinerant ferromagnetism in Ga(1-x)Mn(x)As

The doping and temperature dependence of the complex conductivity is determined for the ferromagnetic semiconductor Ga(1-x)Mn(x)As. A broad resonance develops with Mn doping at an energy scale of approximately 200 meV, well within the GaAs band gap. Possible origins of this feature are explored in the context of a Mn induced impurity band and intervalence band transitions. From a sum rule analysis of the conductivity data the effective mass of the itinerant charge carriers is found to be at least a factor of 3 greater than what is expected for hole doped GaAs. In the ferromagnetic state a significant decrease in the effective mass is observed, demonstrating the role played by the heavy carriers in inducing ferromagnetism in this system.