Helium Atoms Research Articles

Detection of atomic vortex beam using the near-field diffraction method

We theoretically introduce the method for detecting the atomic vortex (AV) of a helium atomic beam. The AV detection is based on near-field diffraction. The simulations relied on the Feynman path integral. The Gaussian beam and velocity distribution of helium atoms are taken into account. Gravitational field is also included in this study. This research can be useful in the field of matter-wave optics.

Tungsten nanostructure growth by sputtering and redeposition in BCA-MD-KMC hybrid simulation

The formation mechanism of fibrous tungsten nanostructures, fuzz, induced by helium plasma irradiation on tungsten materials has been investigated. We have developed a BCA-MD-KMC hybrid simulation, which solves the injection process of helium atoms by the Binary Collision Approximation (BCA) method, the diffusion process of helium atoms in tungsten materials by the Kinetic Monte-Carlo (KMC) method, and the deformation of tungsten materials due to helium bubbles by the Molecular Dynamics (MD) method. In addition, the model used to calculate the recoiling of tungsten atoms in BCA was improved to account for the reduced binding energy of tungsten atoms on rough surfaces. Using the hybrid simulation, the height of the nanostructures reached about 50 nm. The main mechanism of nanostructure growth was that sputtering and redeposition caused transport of tungsten atoms perpendicular to the surface. The present simulation was able to represent not only the dependence that the nanostructure height increases in proportion to the square root of the helium fluence, but also the existence of incubation fluence before the growth starts.

Tunable spectral continuous shift of high-order harmonic generation in atoms by a plasmon-assisted shaping pulse

We delve into the phenomenon of high-order harmonic generation within a helium atom under the influence of a plasmon-assisted shaping pulse. Our findings reveal an intriguing manipulation of the frequency peak position in the harmonic emission by adjusting the absolute phase parameter within the frequency domain of the shaping pulse. This phenomenon holds potential significance for experimental setups necessitating precisely tuned single harmonics. Notably, we observe a modulated shift in the created harmonic photon energy, spanning an impressive range of 1.2 eV. This frequency peak shift is rooted in the asymmetry exhibited by the rising and falling edges of the laser pulse, directly influencing the position of the peak frequency emission. Our study quantifies the dependence of this tuning range and the asymmetry of the laser pulse, offering valuable insights into the underlying mechanisms driving this phenomenon. Furthermore, our investigation uncovers the emergence of semi-integer order harmonics as the phase parameter is altered. We attribute this discovery to the intricate interference between harmonics generated by the primary and secondary return cores. This observation introduces an innovative approach for generating semi-integer order harmonics, thus expanding our understanding of high-order harmonic generation. Ultimately, our work contributes to the broader comprehension of complex phenomena in laser-matter interactions and provides a foundation for harnessing these effects in various applications, particularly those involving precise spectral control and the generation of unique harmonic patterns.

Four-Body Nonadditive Potential Energy Surface and the Fourth Virial Coefficient of Helium.

The four-body nonadditive contribution to the energy of four helium atoms is calculated and fitted for all geometries for which the internuclear distances exceed a small minimum value. The interpolation uses an active learning approach based on Gaussian processes. Asymptotic functions are used to calculate the nonadditive energy when the four helium atoms form distinct subclusters. The resulting four-body potential is used to compute the fourth virial coefficient D(T) for helium, at temperatures from 10 to 2000 K, with a path-integral approach that fully accounts for quantum effects. The results are in reasonable agreement with the limited and scattered experimental data for D(T), but our calculated results have much smaller uncertainties.

The Electron–Phonon Interaction at Vicinal Metal Surfaces Measured with Helium Atom Scattering

Recently, it was demonstrated that inelastic helium atom scattering from conducting surfaces provides a direct measurement of the surface electron–phonon coupling constant (mass enhancement factor λ) via the temperature or the incident wave vector dependence of the Debye–Waller exponent. Here, previous published as well as unpublished helium atom scattering diffraction data from the vicinal surfaces of copper (Cu(11α), with α = 3, 5, 7) and aluminum (Al(221) and Al(332)) were analyzed to determine λ. The results suggested an enhancement with respect to the corresponding data for the low-index surfaces (111) and (001) above the roughening transition temperature. The specific role of steps compared to that of terraces is briefly discussed.

Solar Energy Is Any Type Of Energy Generated By The Sun

Solar energy is any type of energy generated by the sun Solar energy is created by nuclear fusion that takes place in the sun Fusion occurs when protons of hydrogen atoms violently collide in the sun's core and fuse to create a helium atom

Surface properties of 1T-TaS2 and contrasting its electron-phonon coupling with TlBiTe2 from helium atom scattering.

We present a detailed helium atom scattering study of the charge-density wave (CDW) system and transition metal dichalcogenide 1T-TaS2. In terms of energy dissipation, we determine the electron-phonon (e-ph) coupling, a quantity that is at the heart of conventional superconductivity and may even "drive" phase transitions such as CDWs. The e-ph coupling of TaS2 in the commensurate CDW phase (λ = 0.59 ± 0.12) is compared with measurements of the topo-logical insulator TlBiTe2 (λ = 0.09 ± 0.01). Furthermore, by means of elastic He diffraction and resonance/interference effects in He scattering, the thermal expansion of the surface lattice, the surface step height, and the three-dimensional atom-surface interaction potential are determined including the electronic corrugation of 1T-TaS2. The linear thermal expansion coefficient is similar to that of other transition-metal dichalcogenides. The He-TaS2 interaction is best described by a corrugated Morse potential with a relatively large well depth and supports a large number of bound states, comparable to the surface of Bi2Se3, and the surface electronic corrugation of 1T-TaS2 is similar to the ones found for semimetal surfaces.

Rotational Transitions in the N2 + Ion Induced by Collisions with Helium Atoms in Cold Helium Plasmas. A Quasiclassical Trajectory Study.

Cross-sections of state-to-state rotational transitions in electronically ground-state 14 (X2 ) ions induced by collisions with 4 He atoms have been calculated using a quasiclassical trajectory method and a set of artificial neural networks representing the /He potential energy surface. The training points for the neural networks have been calculated at a MCSCF (multi-configuration self-consistent field)/aug-cc-pVQZ level. A broad range of the /He collision energy has been considered ( eV) and the efficiency of vibrational transitions in the ion has also been analyzed. It has been found that vibrational transitions are negligible with respect to rotational transitions up to eV and that above this energy, both rotational and vibrational transitions in are marginal in the /He collisions.

Observing the primary steps of ion solvation in helium droplets.

Solvation is a ubiquitous phenomenon in the natural sciences. At the macroscopic level, it is well understood through thermodynamics and chemical reaction kinetics1,2. At the atomic level, the primary steps of solvation are the attraction and binding of individual molecules or atoms of a solvent to molecules or ions of a solute1. These steps have, however, never been observed in real time. Here we instantly create a single sodium ion at the surface of a liquid helium nanodroplet3,4, and measure the number of solvent atoms that successively attach to the ion as a function of time. We found that the binding dynamics of the first five helium atoms is well described by a Poissonian process with a binding rate of 2.0 atoms per picosecond. This rate is consistent with time-dependent density-functional-theory simulations of the solvation process. Furthermore, our measurements enable an estimate of the energy removed from the region around the sodium ion as a function of time, revealing that half of the total solvation energy is dissipated after four picoseconds. Our experimental method opens possibilities for benchmarking theoretical models of ion solvation and for time-resolved measurements of cation-molecule complex formation.

Effect of helium on thermal transport properties in single- and bi-crystals of Ni: a study based on molecular dynamics

Nuclear structures are prone to irradiation-induced defects that make them susceptible to alternation in mechanical and thermal properties. The transmutation of Ni to insoluble He atoms is considered to be responsible for the embrittlement of Ni. Helium bubbles are deemed responsible for the deterioration of mechanical and thermal properties of the Ni crystal, and this should be studied in detail to predict the lifespan of ageing nuclear structures. The aim of this article is to study the effect of helium on the thermal transport phenomenon in single- and bi-crystals of Ni. Molecular dynamics-based simulations in conjunction with a hybrid force field are performed to study the effect of a helium bubble on the thermal transport phenomenon in Ni crystals. These simulations are further extended to study the impact of symmetrical tilt grain boundaries (STGB) in conjunction with the doping of helium atoms on the thermal transport phenomenon in bi-crystal Ni. The effect of helium concentration in the bubble significantly alters the thermal transport in single-crystal Ni. The STGB configuration also introduces interfacial thermal resistance as a function of the misorientation angle. The helium-doped grain boundaries further increase the resistance to phonon movement and increase Kapitza resistance. The increase in Kapitza resistance is more dominant in higher misorientation angle grain boundaries.

Studies of Dynamics of Neutral Component of Current Sheet Plasma, Based on Spectral Broadening of Helium Line He I 5876 Å

Spectroscopy methods were used for studying the dynamics of neutral plasma component in current sheets formed in two-dimensional (2D) and three-dimensional (3D) magnetic configurations during discharge in helium. It has been ascertained that when the current sheet is formed in the 2D magnetic field, flows of fast suprathermal helium atoms appear in it, which are directed along the current sheet width (the largest of the sheet transverse dimensions). It is shown that helium atoms can acquire the directed energy Wx due to the resonance charge exchange of accelerated ions in the current sheet plasma. The energy of directed motion of helium atoms can reach Wx ≈ (480 ± 120) eV, which is ~20 times higher than the temperature of helium atoms Ta ≈ (20 ± 2) eV at the same times. During the current sheet formation in the 3D magnetic configuration, fast helium atoms were not observed.

Rotational excitation of interstellar benzonitrile by helium atoms

ABSTRACT Interstellar aromatic molecules such as polycyclic aromatic hydrocarbons and polycyclic nitrogen and oxygen bearing molecules are thought to be abundant in the interstellar medium (ISM). In this class of molecules, benzonitrile (c-C6H5CN) plays an important role as a proxy for benzene. It has been detected through rotational emission in several astrophysical sources and is one of the simplest N-bearing polar aromatic molecules. Even in the cold ISM, the population of the rotational levels of benzonitrile might not be at equilibrium. Consequently, modelling its detected emission lines requires a prior computation of its quenching rate coefficients by the most abundant species in the ISM (He or H2). In this paper, we focus on the excitation of c-C6H5CN by collision with He. We compute the first potential energy surface (PES) using the explicitly correlated coupled cluster method in conjunction with large basis sets. The PES obtained is characterized by a potential well depth of −97.2 cm−1 and an important anisotropy. Scattering computations of the rotational (de-)excitation of c-C6H5CN by He atoms are performed by means of the coupled states approximation that allow to obtain collisional rates for rotational states up to j = 9 and temperatures up to 40 K. These rate coefficients are then used to examine the effect of C6H5CN excitation induced by collisions with para-H2 in molecular clouds by carrying out simple radiative transfer calculations of the excitation temperatures and show that non-equilibrium effects can be expected for H2 densities up to 105–106 cm−3.

Ionization and electron capture in O6+ + He collisions at 0.86, 1.5, 1.94 a.u. velocities

Using the projectile-ion-recoil-ion coincidence method, relative cross sections for single-electron capture, single ionization, double-electron capture, transfer ionization and double ionization in collisions of multiply charged O6+ ions with helium atoms have been measured at 0.86, 1.5, 1.94 a.u. velocities. Calculations based on the semi-classical over-barrier model in the framework of independent electron approximation is employed to discuss various competing reaction mechanisms. These results are also compared with other experimental and theoretical results available in the velocity range considered.

High-order harmonic generation, attosecond pulse, and non-sequential double ionization in the helium atom under high-intensity femtosecond laser pulses

High-order harmonic generation (HHG), attosecond pulse train (APT), isolated attosecond pulse (IAP), and non-sequential double ionization (NSDI) in the Helium atom under intense femtosecond laser pulses are computed using the time-dependent Schrodinger equation (TDSE) in one dimension (1D). By taking into account the electron–electron and electron-nucleus interactions, as well as determining the Helium atom’s ground state wave function through the imaginary time propagation (ITP) method, we are able to observe the widely recognized ‘knee structure’ in the ionization probability of the Helium atom as a function of intensity within an ionization boundary condition model. The results are in good agreement with the experimental data reported by (Walker et al (1994) Phys. Rev. Lett. 73, 1227).

Trihydrogen Cation Helium Clusters: A New Potential Energy Surface.

We present a new analytical potential energy surface (PES) for the interaction between the trihydrogen cation and a He atom, , in its electronic ground state. The proposed PES has been built as a sum of two contributions: a polarization energy term due to the electric field generated by the molecular cation at the position of the polarizable He atom, and an exchange-repulsion and dispersion interactions represented by a sum of "atom-bond" potentials between the three bonds of and the He atom. All parameters of this new PES have been chosen and fitted from data obtained from high-level ab-initio calculations. Using this new PES plus the Aziz-Slaman potential for the interaction between Helium atoms and assuming pair-wise interactions, we carry out classical Basin-Hopping (BH) global optimization, semiclassical BH with Zero Point Energy corrections, and quantum Diffusion Monte Carlo simulations. We have found the minimum energy configurations of small He clusters doped with , , with N=1-16. The study of the energies of these clusters allows us to find a pronounced anomaly for N=12, in perfect agreement with previous experimental findings, which we relate to a greater relative stability of this aggregate.

Photoionization of air species as impurities in atmospheric pressure helium plasma

We revisit the problem of photoionization of small admixtures of nitrogen and oxygen molecules in atmospheric pressure helium plasma originally formulated in the pioneering work of Naidis (2010 J. Phys. D: Appl. Phys. 43 402001). The radiation trapping of resonance emission lines in atomic helium is quantified, and it is demonstrated that photoionization occurs due to radiative decay of the electronic A state of helium molecules. The collisions and atomic precursors that populate the excited A state of the helium molecule are clearly identified. The Einstein probabilities for the transition from bound and quasi-bound rovibrational levels of the A state to the continuum of the ground X state are provided. A kinetic scheme for the production of the fast component of ultraviolet emissions in atmospheric pressure helium plasma is proposed. The photoionization of molecular oxygen and molecular nitrogen as impurities in 99.9% and 99.99% purity helium is studied.

Infrared spectroscopy of cations in helium nanodroplets.

Here, we describe our pulsed helium droplet apparatus for spectroscopy of molecular ions. Our approach involves the doping of the droplets of about 10nm in diameter with precursor molecules, such as ethylene, followed by electron impact ionization. Droplets containing ions are irradiated by the pulsed infrared laser beam. Vibrational excitation of the embedded cations leads to the evaporation of the helium atoms in the droplets and the release of the free ions, which are detected by the quadrupole mass spectrometer. In this work, we upgraded the experimental setup by introducing an octupole RF collision cell downstream from the electron impact ionizer. The implementation of the RF ion guide increases the transmission efficiency of the ions. Filling the collision cell with additional He gas leads to a decrease in the droplet size, enhancing sensitivity to the laser excitation. We show that the spectroscopic signal depends linearly on the laser pulse energy, and the number of ions generated per laser pulse is about 100 times greater than in our previous experiments. These improvements facilitate faster and more reproducible measurements of the spectra, yielding a handy laboratory technique for the spectroscopic study of diverse molecular ions and ionic clusters at low temperature (0.4K) in He droplets.

Specific Ion Effects at the Vapor-Formamide Interface: A Reverse Hofmeister Series in Ion Concentration Depth Profiles.

Employing neutral impact collision ion scattering spectroscopy (NICISS), we have directly measured the concentration depth profiles (CDPs) of various monovalent ions at the vapor-formamide interface. NICISS provides CDPs of individual ions by measuring the energy loss of neutral helium atoms backscattered from the solution interface. CDPs at the vapor-formamide interface of Cl-, Br-, I-, Na+, K+, and Cs+ are measured and compared to elucidate the interfacial specific ion trends. We report a reverse Hofmeister series in the presence of inorganic ions (anion and cation) at the vapor-formamide interface relative to the water-vapor interface, and the CDPs are found to be independent of the counterion for most ions studied. Thus, ions at the surface of formamide follow a "Hofmeister paradigm" where the counterion does not impact the ion series. These specific ion trends are complemented with surface tension and X-ray absorption near-edge structure (XANES) measurements on formamide electrolyte solutions.

The channeling effect of symmetrical tilt grain boundaries on helium bubbles in tungsten

Helium atoms can migrate easily and aggregate at various crystal defects, such as grain boundaries, which promote the nucleation and growth of helium bubbles, ultimately causing severe radiation damage to nuclear materials. Structure characteristics of grain boundaries with low-angle symmetrical tilt of the [100] axle and their channeling effects on helium bubbles in tungsten were investigated by molecular dynamics simulations. The triaxial variation curves of the helium bubble size in each grain boundary model and the relationship of the helium diffusion coefficient of each grain boundary to their intrinsic crystal structures are analyzed. The results indicate that the helium bubbles grow into one-dimensional nanochannels at the selected grain boundaries, and there is a significant difference in the maximum number of helium bubbles these grain boundaries can accommodate before forming one-dimensional nanochannels. Furthermore, the existence of helium nanochannels along the 〈100〉 edge dislocation line in the low-angle symmetrical tilt grain boundaries is well verified by molecular dynamics simulation of the helium bubble growth and helium diffusion equations at the 〈100〉 edge dislocation line. This suggests that releasing helium outside of the tungsten matrix through the nanochannel structures of low-angle symmetrical tilt grain boundaries may be a potential strategy to address the root causes of bubble nucleation and swelling of tungsten material.

Interaction of 1/2〈111〉 interstitial dislocation loop with hydrogen and helium in tungsten: molecular dynamics simulation

The interaction of hydrogen and helium atoms with 1/2 〈111〉 interstitial dislocation loop in tungsten is investigated by molecular dynamics simulation. The binding energies of hydrogen and helium atoms around dislocation loop are calculated by molecular statics method. The results show that the outer region of the loop is attractive to the two atoms and the inner region is repulsive. Notably, the maximum binding energies are located in the core region of the dislocation loop. We have also studied the influence factors of the interaction between the dislocation loop and two atoms: free volume, lattice distortion degree, the radius and shape of the dislocation loop. The results show that large free volume benefits the retention of hydrogen and helium atoms, especially for helium. The less lattice distortion caused by the impurity atom, the more favorable for the dislocation loop to trap it. In addition, the larger dislocation loop with higher defect concentration results in stronger capture ability for the hydrogen and helium atoms. The different dislocation loop shapes lead to different binding energy distribution patterns. And the hydrogen and helium atoms tend to occupy the groove region of the concave dislocation loop. Finally, we employ the nudged elastic band theory and dynamics method to investigate the diffusion pattern of the hydrogen atom in the dislocation loop and find that the hydrogen atom tends to migrate spirally around dislocation line. Based on the obtained results, a reasonable interpretation of the interaction behaviors between the dislocation loop with hydrogen and helium atoms are discussed, which can provide essential parameters for mesoscopic scale simulations.