Contributions of continuum channels to the ¹S partial cross section of 1s2s²2p⁵ ¹P^o in the vicinity of the resonance 1s⁰2s²2p⁶ ¹S from (a) the main five channels listed in (3) and (b) three shake channels

<p><strong>Figure 4.</strong> Contributions of continuum channels to the ¹S partial cross section of 1s2s²2p⁵ ¹P^o in the vicinity of the resonance 1s⁰2s²2p⁶ ¹S from (a) the main five channels listed in (3) and (b) three shake channels.</p> <p><strong>Abstract</strong></p> <p>A close-coupling calculation is performed for the photoionization cross section of the high-lying core-excited state 1s2s²2p⁵ ¹P^o of Ne^{2 +} in the energy region of the double <em>K</em>-vacancy resonance 1s⁰2s²2p⁶ ¹S. The calculation is carried out by using the <em>R</em>-matrix method in the <em>LS</em>-coupling scheme, which includes 27 target states and extensive configuration interaction. The <em>KK</em>-<em>KL</em> x-ray energy, rate and autoionization width of the double <em>K</em>-vacancy state, together with <em>KK</em>-<em>KLL</em> Auger energies and branching ratios of the main channels, are obtained from the cross sections and the contributions of these channels. The calculated resonance energy and x-ray rate are in good agreement with the existing experimental and theoretical results. For the Auger width, our result agrees well with the available experimental result and it is very close to the average of other theoretical data, which shows considerable differences with each other. The Auger energy of the predominate channel <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D is in rather good agreement with recent experiments on the Auger spectra. Our branching ratios for the channels <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D and <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²S are larger than the results obtained by the multi-configuration Dirac–Fock method by ~20% on average, which may be due to the coupling of the continuum channels.</p

Level structure for the single and double <em>K</em>-vacancy states of Ne^{2 +} and Ne^{3 +} relevant to this work (relative to the ground state 1s²2s²2p³ ⁴S^o of Ne^{3 +})

<p><strong>Figure 1.</strong> Level structure for the single and double <em>K</em>-vacancy states of Ne^{2 +} and Ne^{3 +} relevant to this work (relative to the ground state 1s²2s²2p³ ⁴S^o of Ne^{3 +}). Experimental energies are used wherever available.</p> <p><strong>Abstract</strong></p> <p>A close-coupling calculation is performed for the photoionization cross section of the high-lying core-excited state 1s2s²2p⁵ ¹P^o of Ne^{2 +} in the energy region of the double <em>K</em>-vacancy resonance 1s⁰2s²2p⁶ ¹S. The calculation is carried out by using the <em>R</em>-matrix method in the <em>LS</em>-coupling scheme, which includes 27 target states and extensive configuration interaction. The <em>KK</em>-<em>KL</em> x-ray energy, rate and autoionization width of the double <em>K</em>-vacancy state, together with <em>KK</em>-<em>KLL</em> Auger energies and branching ratios of the main channels, are obtained from the cross sections and the contributions of these channels. The calculated resonance energy and x-ray rate are in good agreement with the existing experimental and theoretical results. For the Auger width, our result agrees well with the available experimental result and it is very close to the average of other theoretical data, which shows considerable differences with each other. The Auger energy of the predominate channel <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D is in rather good agreement with recent experiments on the Auger spectra. Our branching ratios for the channels <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D and <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²S are larger than the results obtained by the multi-configuration Dirac–Fock method by ~20% on average, which may be due to the coupling of the continuum channels.</p

Energy levels (in Ry) of the target states of Ne^{3 +} and comparison with available NIST data [37]

<p><b>Table 1.</b> Energy levels (in Ry) of the target states of Ne^{3 +} and comparison with available NIST data [<a href="http://iopscience.iop.org/0953-4075/46/14/145002/article#jpb472622bib37" target="_blank">37</a>]. The values with superscript '*' are deduced from the experimental results of the x-ray emission spectrum [<a href="http://iopscience.iop.org/0953-4075/46/14/145002/article#jpb472622bib38" target="_blank">38</a>].</p> <p><strong>Abstract</strong></p> <p>A close-coupling calculation is performed for the photoionization cross section of the high-lying core-excited state 1s2s²2p⁵ ¹P^o of Ne^{2 +} in the energy region of the double <em>K</em>-vacancy resonance 1s⁰2s²2p⁶ ¹S. The calculation is carried out by using the <em>R</em>-matrix method in the <em>LS</em>-coupling scheme, which includes 27 target states and extensive configuration interaction. The <em>KK</em>-<em>KL</em> x-ray energy, rate and autoionization width of the double <em>K</em>-vacancy state, together with <em>KK</em>-<em>KLL</em> Auger energies and branching ratios of the main channels, are obtained from the cross sections and the contributions of these channels. The calculated resonance energy and x-ray rate are in good agreement with the existing experimental and theoretical results. For the Auger width, our result agrees well with the available experimental result and it is very close to the average of other theoretical data, which shows considerable differences with each other. The Auger energy of the predominate channel <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D is in rather good agreement with recent experiments on the Auger spectra. Our branching ratios for the channels <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D and <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²S are larger than the results obtained by the multi-configuration Dirac–Fock method by ~20% on average, which may be due to the coupling of the continuum channels.</p

K^h_alpha x-ray energy <em>E_r</em> (Ry), rate <em>A_ji</em> (10¹³ s⁻¹) and autoionization width Γ_<em>a</em> (eV) of the double <em>K</em>-vacancy state 1s⁰2s²2p⁶ ¹S

<p><b>Table 2.</b> K^h_\alpha x-ray energy <em>E_r</em> (Ry), rate <em>A_ji</em> (10¹³ s⁻¹) and autoionization width Γ_<em>a</em> (eV) of the double <em>K</em>-vacancy state 1s⁰2s²2p⁶ ¹S. Available experimental and theoretical data are given for comparison.</p> <p><strong>Abstract</strong></p> <p>A close-coupling calculation is performed for the photoionization cross section of the high-lying core-excited state 1s2s²2p⁵ ¹P^o of Ne^{2 +} in the energy region of the double <em>K</em>-vacancy resonance 1s⁰2s²2p⁶ ¹S. The calculation is carried out by using the <em>R</em>-matrix method in the <em>LS</em>-coupling scheme, which includes 27 target states and extensive configuration interaction. The <em>KK</em>-<em>KL</em> x-ray energy, rate and autoionization width of the double <em>K</em>-vacancy state, together with <em>KK</em>-<em>KLL</em> Auger energies and branching ratios of the main channels, are obtained from the cross sections and the contributions of these channels. The calculated resonance energy and x-ray rate are in good agreement with the existing experimental and theoretical results. For the Auger width, our result agrees well with the available experimental result and it is very close to the average of other theoretical data, which shows considerable differences with each other. The Auger energy of the predominate channel <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D is in rather good agreement with recent experiments on the Auger spectra. Our branching ratios for the channels <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D and <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²S are larger than the results obtained by the multi-configuration Dirac–Fock method by ~20% on average, which may be due to the coupling of the continuum channels.</p

Auger energies <em>E_a</em> (in Ry) and branching ratios (BR in %) of the channels shown in figure 4

<p><b>Table 3.</b> Auger energies <em>E_a</em> (in Ry) and branching ratios (BR in %) of the channels shown in figure <a href="http://iopscience.iop.org/0953-4075/46/14/145002/article#jpb472622f4" target="_blank">4</a>. Available experimental and theoretical data are given for comparison.</p> <p><strong>Abstract</strong></p> <p>A close-coupling calculation is performed for the photoionization cross section of the high-lying core-excited state 1s2s²2p⁵ ¹P^o of Ne^{2 +} in the energy region of the double <em>K</em>-vacancy resonance 1s⁰2s²2p⁶ ¹S. The calculation is carried out by using the <em>R</em>-matrix method in the <em>LS</em>-coupling scheme, which includes 27 target states and extensive configuration interaction. The <em>KK</em>-<em>KL</em> x-ray energy, rate and autoionization width of the double <em>K</em>-vacancy state, together with <em>KK</em>-<em>KLL</em> Auger energies and branching ratios of the main channels, are obtained from the cross sections and the contributions of these channels. The calculated resonance energy and x-ray rate are in good agreement with the existing experimental and theoretical results. For the Auger width, our result agrees well with the available experimental result and it is very close to the average of other theoretical data, which shows considerable differences with each other. The Auger energy of the predominate channel <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D is in rather good agreement with recent experiments on the Auger spectra. Our branching ratios for the channels <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D and <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²S are larger than the results obtained by the multi-configuration Dirac–Fock method by ~20% on average, which may be due to the coupling of the continuum channels.</p

The ¹S partial photoionization cross section of the low-lying excited state 1s²2s2p⁵ ¹P^o in the vicinity of the resonance 1s⁰2s²2p⁶ ¹S (solid line)

<p><strong>Figure 3.</strong> The ¹S partial photoionization cross section of the low-lying excited state 1s²2s2p⁵ ¹P^o in the vicinity of the resonance 1s⁰2s²2p⁶ ¹S (solid line). The dashed line represents a fitting Fano profile according to (4).</p> <p><strong>Abstract</strong></p> <p>A close-coupling calculation is performed for the photoionization cross section of the high-lying core-excited state 1s2s²2p⁵ ¹P^o of Ne^{2 +} in the energy region of the double <em>K</em>-vacancy resonance 1s⁰2s²2p⁶ ¹S. The calculation is carried out by using the <em>R</em>-matrix method in the <em>LS</em>-coupling scheme, which includes 27 target states and extensive configuration interaction. The <em>KK</em>-<em>KL</em> x-ray energy, rate and autoionization width of the double <em>K</em>-vacancy state, together with <em>KK</em>-<em>KLL</em> Auger energies and branching ratios of the main channels, are obtained from the cross sections and the contributions of these channels. The calculated resonance energy and x-ray rate are in good agreement with the existing experimental and theoretical results. For the Auger width, our result agrees well with the available experimental result and it is very close to the average of other theoretical data, which shows considerable differences with each other. The Auger energy of the predominate channel <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D is in rather good agreement with recent experiments on the Auger spectra. Our branching ratios for the channels <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D and <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²S are larger than the results obtained by the multi-configuration Dirac–Fock method by ~20% on average, which may be due to the coupling of the continuum channels.</p

The ¹S partial photoionization cross section of the core-excited state 1s2s²2p⁵ ¹P^o in the vicinity of the resonance 1s⁰2s²2p⁶ ¹S

<p><strong>Figure 2.</strong> The ¹S partial photoionization cross section of the core-excited state 1s2s²2p⁵ ¹P^o in the vicinity of the resonance 1s⁰2s²2p⁶ ¹S. The full and dashed lines refer to the length and velocity forms, respectively.</p> <p><strong>Abstract</strong></p> <p>A close-coupling calculation is performed for the photoionization cross section of the high-lying core-excited state 1s2s²2p⁵ ¹P^o of Ne^{2 +} in the energy region of the double <em>K</em>-vacancy resonance 1s⁰2s²2p⁶ ¹S. The calculation is carried out by using the <em>R</em>-matrix method in the <em>LS</em>-coupling scheme, which includes 27 target states and extensive configuration interaction. The <em>KK</em>-<em>KL</em> x-ray energy, rate and autoionization width of the double <em>K</em>-vacancy state, together with <em>KK</em>-<em>KLL</em> Auger energies and branching ratios of the main channels, are obtained from the cross sections and the contributions of these channels. The calculated resonance energy and x-ray rate are in good agreement with the existing experimental and theoretical results. For the Auger width, our result agrees well with the available experimental result and it is very close to the average of other theoretical data, which shows considerable differences with each other. The Auger energy of the predominate channel <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D is in rather good agreement with recent experiments on the Auger spectra. Our branching ratios for the channels <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²D and <em>KK</em>-<em>KL</em>₂₃<em>L</em>₂₃ ²S are larger than the results obtained by the multi-configuration Dirac–Fock method by ~20% on average, which may be due to the coupling of the continuum channels.</p

Study on the Performance of a Surface with Coupled Wettability Difference and Convex-Stripe Array for Improved Air Layer Stability

The existence of an air layer reduces friction drag on superhydrophobic surfaces. Therefore, improving the air layer stability of superhydrophobic surfaces holds immense significance in reducing both energy consumption and environmental pollution caused by friction drag. Based on the properties of mathematical discretization and the contact angle hysteresis generated by the wettability difference, a surface coupled with a wettability difference treatment and a convex-stripe array is developed by laser engraving and fluorine modification, and its performance in improving the air layer stability is experimentally studied in a von Kármán swirling flow field. The results show that the destabilization of the air layer is mainly caused by the Kelvin–Helmholtz instability, which is triggered by the density difference between gas and liquid, as well as the tangential velocity difference between gas and liquid. When the air layer is relatively thin, tangential wave destabilization occurs, whereas for larger thicknesses, the destabilization mode is coupled wave destabilization. The maximum Reynolds number that keeps the air layer fully covering the surface of the rotating disk (with drag reduction performance) during the disk rotation process is defined as the critical Reynolds number (Rec), which is 1.62 × 105 for the uniform superhydrophobic surface and 3.24 × 105 for the superhydrophobic surface with a convex stripe on the outermost ring (SCSSP). Individual treatments of wettability difference and a convex-stripe array on the SCSSP further improve the air layer stability, but Rec remains at 3.24 × 105. Finally, the coupling of the wettability difference treatment with a convex-stripe array significantly improves the air layer stability, resulting in an increase of Rec to 4.05 × 105, and the drag reduction rate stably maintained around 30%

Detecting the Formation and Transformation of Oligomers during Insulin Fibrillation by a Dendrimer Conjugated with Aggregation-Induced Emission Molecule

The fibrillation of protein is harmful and impedes the use of protein drugs. It also relates to various debilitating diseases such as Alzheimer’s diseases. Thus, investigating the protein fibrillation process is necessary. In this study, poly­(amido amine) dendrimers (PAMAM) of generation 3 (G3) and generation 4 (G4) were synthesized and conjugated with 4-aminobiphenyl, an aggregation-induced emission (AIE) moiety, at varied grafting ratios. Among them, one fluorescence probe named G3-biph-3 that was grafted average 3.25 4-aminobiphenyl to the G3, can detect the transformations both from native insulin to oligomers and from oligomers to fibrils. The size difference of native insulin, oligomers, and fibrils was proposed to be the main factor leading to the detection of the above transformations. Different molecular weights of sodium polyacrylate (PAAS) were also applied as a model to interact with G3-biph-3 to further reveal the mechanism. The results indicated that PAMAM with a certain generation and grafted with appropriate AIE groups can detect the oligomer formation and transformation during the insulin fibrillation process

Microsteganography on WS₂ Monolayers Tailored by Direct Laser Painting

We present scanning focused laser beam as a multipurpose tool to engineer the physical and chemical properties of WS₂ microflakes. For monolayers, the laser modification integrates oxygen into the WS₂ microflake, resulting in ∼9 times enhancement in the intensity of the fluorescence emission. This modification does not cause any morphology change, allowing “micro-encryption” of information that is only observable as fluorescence under excitation. The same focused laser also facilitates on demand thinning down of WS₂ multilayers into monolayers, turning them into fluorescence active components. With a scanning focused laser beam, micropatterns are readily created on WS₂ multilayers through selective thinning of specific regions on the flake