Field Ion Research Articles

Stacking Fault Segregation Imaging With Analytical Field Ion Microscopy.

Stacking faults (SFs) are important structural defects that play an essential role in the deformation of engineering alloys. However, direct observation of SFs at the atomic scale can be challenging. Here, we use the analytical field ion microscopy, including density functional theory-informed contrast estimation, to image local elemental segregation at SFs in a creep-deformed solid-solution single-crystal alloy of Ni-2 at% W. The segregated atoms are imaged brightly, and time-of-flight spectrometry allows for their identification as W. We also provide the first quantitative analysis of trajectory aberration, with a deviation of approximately 0.4 nm, explaining why atom probe tomography could not resolve these segregations. Atomistic simulations of substitutional W atoms at an edge dislocation in face-centered cubic Ni using an analytic bond-order potential indicate that the experimentally observed segregation is due to the energetic preference of W for the center of the SF, contrasting with, for example, Re segregating to partial dislocations. Solute segregation to SF can hinder dislocation motion, increasing the strength of Ni-based superalloys. Yet, direct substitution of Re by W, envisaged to lower the superalloys' costs, requires extra consideration in alloy design since these two solutes do not have comparable interactions with structural defects during deformation.

Effect of orbital symmetry on atomic ionization in near-infrared laser fields

Effect of orbital symmetry on atomic ionization in near-infrared laser fields

Dynamic modeling of air–metal plasma mixture of single-turn coil with erosion at megaGauss magnetic field

Single-turn coil (STC) is a destructive pulsed magnet aiming at 100–300 T magnetic field. Due to the high discharge current, the conductor of STC is heated rapidly and undergoes melting and vaporization, leading to the generation of supersonic air–metal vapor mixed plasma jet and the magneto-fluid effect. In this study, the mixed plasma mass-transfer and fluid dynamic characteristics are modeled at megaGauss magnetic field, high temperature, high pressure, and supersonic conductor shock deformation. The collision integral method is employed to calculate the fluid transport properties. In addition, a boundary constraint model of fluid–structure interaction (FSI) compatible with both fluid wall boundary condition and plasma jet entrance condition and a model to simultaneously solve the thermal ionization and high electric field ionization of the mixed vapor are proposed. As the result, the distributions of plasma electrical conductivity, current density, electron, heavy particles, temperature, air body load, and velocity are derived. Especially, the region of highest electrical conductivity is not the air domain near the inner surface of the conductor with the highest electron density and the highest magnetic field, but the air domain near the outer surface of the conductor with the relatively higher electron density and lower magnetic field.

Above-threshold ionization with X-ray free-electron lasers

This study delves into the relatively uncharted territory of Above Threshold Ionization in atoms, triggered by intense X-ray radiation fields. At these frequencies, the energy of a single photon far exceeds the ionization potential of valence electrons in atoms and molecules. The conditions we examine are similar to those achievable with current or future free-electron laser facilities. Under such high-energy scenarios, the onset of strong field ionization requires a shift away from the traditional quasi-classical approach. Here, we present an analytical model to characterize how the field-free ionization potential, ponderomotive energy, and photon energy govern the transition to this regime, all accounted for by means of the Keldysh and Reiss parameters. We show that both of these parameters are needed to capture the onset of strong-field behavior due to both bound state and continuum state properties. At higher X-ray intensities, we find that ionization rates deviate from the linear intensity scaling expected from lowest order perturbative processes, corresponding to channel closure and higher-order photon absorption processes.

Quantum Chemical Analysis of the Molecular and Fragment Ion Formation of Butyrophenone by High-Electric Field Tunnel Ionization at Atmospheric Pressure.

The molecular ion M+· was observed when the liquid sample of butyrophenone was supplied using atmospheric pressure corona discharge (APCD). In contrast, the vapor supply resulted in the formation of the protonated molecule [M+H]+. The mass spectrum obtained with the liquid supply showed two distinctive fragment ions at m/z 105 and 120, resulting from α-cleavage and McLafferty rearrangement (McLR), respectively. The APCD spectrum showed peaks of M+· and the characteristic two fragment ions that were the same as the field ionization mass spectra of butyrophenone as reported by Chait et al. and Beckey et al. The formation of the molecular and fragment ions strongly indicated that high-electric field tunnel ionization (HEFTI) occurs by the HEF strength exceeding 108 V/m at the tip of the corona needle in APCD. The charge and spin density distributions of the molecular and fragment ions were analyzed by quantum chemical calculations using time-dependent density functional theory (TDDFT) and natural bond orbital (NBO) analysis.

Field ionization intensity used to measure local pressure in gas flows

A coaxial ion source produces an ion beam via field effect in a gas flow through a coaxial microchannel structure. Measuring the intensity of ion emission under an electric voltage condition reveals the pressure at the tip of the coaxial structure, where ionization occurs. The spatial resolution of the measurements is defined by the volume into which the position of the tip fits, here estimated as a cube with an edge of 10 μm. The pressure at the tip is also obtained analytically as a function of the throughput through the coaxial structure. The theoretical and experimental pressure values reported in the present work are in agreement between them within the geometric uncertainties of the coaxial structure itself.

A Mixed Aryl/Amide Complex of Iron(II)

The combined incorporation of a labile and a stabilizing ligand in a metal‐organic precursor is of interest for the synthesis of low valent ligated (hetero)metallic clusters. The heteroleptic aryl/amide iron (II) complex [Fe2(Mes)2(BTSA)2] (1) was synthesized by equimolar mixing of [Fe2(Mes)4] with [Fe2(BTSA)4]. (VT)‐NMR‐, UV‐Vis‐ and SC‐XRD‐analysis combined with DFT calculations revealed a dimeric structure with terminal bis(trimethylsilyl)amide‐ and bridging mesityl‐ligands in solution and as well in the solid phase. The treatment of [Fe2(BTSA)4] with the carbenoid group 13 metallo‐ligand GaCp* is known to yield simply adducts. In contrast, monitoring the reactions of [Fe2(Mes)4] and [Fe2(Mes)2(BTSA)2] (1) with GaCp* by liquid injection field desorption mass spectrometry (LIFDI‐MS) suggest formation of a broader variety of bimetallic Fe‐Ga‐species with iron formally reduced to iron (I) or iron (0). However, the product distribution obtained using the heteroleptic compound 1 indicates combined reactivity of the homoleptic congeners by showing larger species with variations of Fe/Ga ratios towards the formation of Fe/Ga clusters. This blended behavior is assigned to the more labile mesityl ligand and the more stabilizing BTSA‐ligand.

Field Ion Microscopy of Tungsten Nano-Tips Coated with Thin Layer of Epoxy Resin

This paper presents an analysis of the field ion emission mechanism of tungsten–epoxy nanocomposite emitters and compares their performance with that of tungsten nano-field emitters. The emission mechanism is described using the theory of induced conductive channels. Tungsten emitters with a radius of 70 nm were fabricated using electrochemical polishing and coated with a 20 nm epoxy resin layer. Characterization of the emitters, both before and after coating, was performed using electron microscopy and energy-dispersive X-ray spectroscopy (EDS). The Tungsten nanocomposite emitter was tested using a field ion microscope (FIM) in the voltage range of 0–15 kV. The FIM analyses revealed differences in the emission ion density distributions between the uncoated and coated emitters. The uncoated tungsten tips exhibited the expected crystalline surface atomic distribution in the FIM images, whereas the coated emitters displayed randomly distributed emission spots, indicating the formation of induced conductive channels within the resin layer. The atom probe results are consistent with the FIM findings, suggesting that the formation of conductive channels is more likely to occur in areas where the resin surface is irregular and exhibits protrusions. These findings highlight the distinct emission mechanisms of both emitter types.

N-changing population of Rydberg states by low-energy electron-Rydberg collisions.

Inelastic n-changing collisions play an important role in the evolution of Rydberg atoms into ultracold plasmas. However, for the initially intermediate n (n ∼ 40) Rydberg states, these collisions can hardly be observed due to the low electron temperature in ultracold plasmas. In this work, we designed an experimental scheme to facilitate collisions between free electrons at 1.5eV and intermediate n Rydberg atoms. Using the field ionization technique, we measured the state distributions resulting from the evolution of initially cold rubidium atoms in the 45P3/2 Rydberg state. The experimentally obtained probability of inelastic collisions excitation agrees well with the Monte Carlo simulation results. In addition, our experimental results indicate that the n-changing population induced by hot electrons is significant for lower nP Rydberg states. Our work plays a significant role in calculating the rates of electron-ion three-body recombination in ultracold plasmas.

Automated Analysis of Petroleum- and Plastic-Derived Fuels by Gas Chromatography Coupled with Field Ionization Mass Spectrometry

Automated Analysis of Petroleum- and Plastic-Derived Fuels by Gas Chromatography Coupled with Field Ionization Mass Spectrometry

Ionic selectivity of nanopores: Comparison among cases under the hydrostatic pressure, electric field, and concentration gradient

The ionic selectivity of nanopores is crucial for the energy conversion based on nanoporous membranes. It can be significantly affected by various parameters of nanopores and the applied fields driving ions through porous membranes. Here, with finite element simulations, the selective transport of ions through nanopores is systematically investigated under three common fields, i.e. the electric field (V), hydrostatic pressure (p), and concentration gradient (c). For negatively charged nanopores, through the quantitative comparison of the cation selectivity (t+) under the three fields, the cation selectivity of nanopores follows the order of t+V > t+c > t+p. This is due to the transport characteristics of cations and anions through the nanopores. Because of the strong transport of counterions in electric double layers under electric fields and concentration gradients, the nanopore exhibits a relatively higher selectivity to counterions. We also explored the modulation of t+ on the properties of nanopores and solutions. Under all three fields, t+ is directly proportional to the pore length and surface charge density, and inversely correlated to the pore diameter and salt concentration. Under both the electric field and hydrostatic pressure, t+ has almost no dependence on the applied field strength or ion species, which can affect t+ in the case of the concentration gradient. Our results provide detailed insights into the comparison and regulation of ionic selectivity of nanopores under three fields which can be useful for the design of high-performance devices for energy conversion based on nanoporous membranes.

Dynamical channel coupling in strong-field ionization of CO2

We present a theoretical study employing the time-dependent density functional theory (TDDFT) to explore the effects of angle-resolved channel coupling in strong field ionization of carbon dioxide (CO2) molecules. Our results reveal significant angular sensitivity of both the channel-resolved ionization probabilities and the effects of laser-induced channel couplings. By applying a linearly polarized two-color field scheme, we demonstrate the ability to significantly modify the strength of the laser-induced coupling, evidenced by the changes in the population distributions among the ionic states induced by the strong-field ionization. Importantly, the two-color field optimally modulates the coupling strength at the alignment angle where ionization of the highest occupied molecular orbital (HOMO) electrons is most efficient. This optimization is attributed to the reduction of the electron shielding effect. Our research provides valuable insights into the coherent manipulation of electron distribution within the cation, paving the way for the precise control of ultrafast electron dynamics during strong-field ionization processes.

Theoretical insights into laser-assisted field evaporation of ionic compounds

This study addresses the kinetic process of field evaporation of MgO assisted by ultrafast laser pulses combining density functional theory and molecular dynamics. A quantitative model is presented to describe the competitive evaporation of Mg and O ions under various conditions by comparing the activation barriers. The coordination number has a significant impact on the evaporation kinetics. The evaporation ratio of Mg to O rises with increasing DC field strength and laser intensity. Moreover, the energetics of evaporation is in correlation with photo-induced field ionization, revealing distinct mechanisms of evaporation for Mg and O. While Mg undergoes further ionization and field evaporation simultaneously, the evaporation of O is coupled with the relaxation of excited carriers. The final charge state of evaporated O is determined by the DC field strength rather than the laser intensity. Our findings provide insights into laser–matter interactions in ionic compounds and contribute to the development of atom probe techniques.

Improvement of Single Event Transient Effects for a Novel AlGaN/GaN High Electron-Mobility Transistor with a P-GaN Buried Layer and a Locally Doped Barrier Layer.

In this paper, a novel AlGaN/GaN HEMT structure with a P-GaN buried layer in the buffer layer and a locally doped barrier layer under the gate (PN-HEMT) is proposed to enhance its resistance to single event transient (SET) effects while also overcoming the degradation of other characteristics. The device operation mechanism and characteristics are investigated by TCAD simulation. The results show that the peak electric field and impact ionization at the gate edges are reduced in the PN-HEMT due to the introduced P-GaN buried layer in the buffer layer. This leads to a decrease in the peak drain current (Ipeak) induced by the SET effect and an improvement in the breakdown voltage (BV). Additionally, the locally doped barrier layer provides extra electrons to the channel, resulting in higher saturated drain current (ID,sat) and maximum transconductance (gmax). The Ipeak of the PN-HEMT (1.37 A/mm) is 71.8% lower than that of the conventional AlGaN/GaN HEMT (C-HEMT) (4.85 A/mm) at 0.6 pC/µm. Simultaneously, ID,sat and BV are increased by 21.2% and 63.9%, respectively. Therefore, the PN-HEMT enhances the hardened SET effect of the device without sacrificing other key characteristics of the AlGaN/GaN HEMT.

Electric field induced dissociation of a confined hydrogen molecule

The effect of a static electric field ionization on the neutral hydrogen molecule H2 confined in a spherical potential well is studied, as a simple model for the chemical activation of molecular species in a medium. Quantum diffusion Monte Carlo is employed with complete account of electron correlation. Field-induced ionization and dissociation are discussed, for different values of the confinement radius and electric field strength. This study allows to highlight the mechanism of electric field initiation of chemical reactions in fluids at different pressures, without the details of a specific chemical environment.

Multiphoton Resonance Meets Tunneling Ionization: High-Efficient Photoexcitation in Strong-Field-Dressed Ions.

Tunneling ionization, a fascinating quantum phenomenon, has played the key role in the development of attosecond physics. Upon absorption of a few tens of photons, tunneling ionization creates ions in different excited states and even enables the formation of population inversion between ionic states. However, the underlying physics is still being debated. Here, we demonstrate a significant enhancement in the efficiency of multiphoton excitation when ionization of neutral molecules and resonant excitation of ions coexist in strong laser fields. It facilitates the dramatic increase in population inversion and lasing radiation in N_{2}^{+} around 1000nm pump wavelength. Utilizing the ionization-coupling theory, we discover that the synergistic interplay between tunneling ionization and multiphoton excitation enables the ionic coherence to be maximized by phase locking of the periodically created ionic dipoles and consistently maintain an optimal phase for the follow-up photoexcitation. This Letter provides new insights into the photoexcitation mechanism of ions in strong laser fields and opens up a route for optimizing ionic lasing radiations.

Role of field ionization in laser pulse evolution during interaction of long laser pulse with gaseous hydrogen atoms

Role of field ionization in laser pulse evolution during interaction of long laser pulse with gaseous hydrogen atoms

PM1.0 removal enhancement in cooperated electric-ionic field by negative air ions carbon fiber electrode

The study focuses on improving the removal efficiency of submicron particles using negative air ions (NAIs), which are challenging to remove. To enhance this efficiency, cascaded carbon fiber tubular (CFT) chargers were designed to boost particle charging. Through experiments and numerical simulations, the chargers’ enhancement mechanisms, cooperation effects, and overall performance were evaluated. The optimal configuration for the CFT charger was identified as a gap distance (d = 2.0 r0) and grounded electrode length (L0 = 4πr03) that ensures high collection efficiency (96.7 % for 0.5 μm particles at 4 m/s) and ultra-low ozone generation (7.25 ppb). The study found that while the average electric field strength (E¯) and ion density significantly influence charging, an unusual improvement in collection efficiency was observed the charger with d = 2.0 r0 at u = 3 m/s, likely due to the potential predominance of the maximum electric field strength (Emax) at relative higher velocity. Besides, the CFT charger demonstrated balanced performance compared to other reported works, although higher relative humidity (80 ± 5 % RH) inhibits removal efficiency, which can be mitigated by reducing gas velocity.

Effect of rotating gliding discharges on the lean blow-off limit of biogas flames

This study investigates the effect of a rotating gliding discharge on synthetic biogas combustion at atmospheric pressure. Synthetic biogas was produced by mixing methane and carbon dioxide. Three mixtures were considered: 100%/0%, 70%/30%, and 50%/50% of methane and carbon dioxide, respectively. The plasma effect was investigated in a low-swirl-number burner equipped with a high-voltage electrode to produce gliding discharges. The effect of plasma on the stability limits of the flame is reported for several electrical powers. During plasma-assisted combustion, the lean blow-off limits of biogas-air flames were significantly improved, which agrees with what can be found in the literature for other fuels. The electrical parameters of the discharge and the plasma emissions were measured using electric probes and emission spectroscopy, respectively. The mixture with the CO2 dilution was associated with a higher reduced electric field and higher ion production. A better understanding of the excited-species concentration evolution during plasma is necessary and will be investigated in future work.

Reducing the Cost of TD-CI Simulations of Strong Field Ionization.

Strong field ionization of molecules by intense laser pulses can be simulated by time-dependent configuration interaction (TD-CI) with a complex absorbing potential (CAP). Standard molecular basis sets need to be augmented with several sets of diffuse functions for effective interaction with the CAP. This dramatically increases the number of configurations and the cost of the TD-CI simulations as the size of the molecules increases. The cost can be reduced by making use of spin symmetry and by employing an orbital energy cutoff to limit the number of virtual orbitals used to construct the excited configurations. Greater reductions in the number of virtual orbitals can be obtained by examining their interaction with the absorbing potential during simulations and their contributions to the strong field ionization rate. This can be determined from the matrix elements of the absorbing potential and the TD-CI coefficients from test simulations. Compared to a simple 3 hartree cutoff in the orbital energies, these approaches reduce the number of virtual orbitals by 20-35% for neutral molecules and 5-10% for cations. As a result, the cost of simulations is reduced by 35-60% for neutral molecules. The number of virtual orbitals needed can also be estimated by second-order perturbation theory without the need for test simulations. The number of virtual orbitals can be reduced further by adapting orbitals to the laser field using natural orbitals derived from test simulations. This is particularly effective for cations, yielding reductions of more than 20%.