Low-energy ion beamline scattering apparatus for surface science investigations

We report on the design, construction, and performance of a high current (monolayers/s), mass-filtered ion beamline system for surface scattering studies using inert and reactive species at collision energies below 1500 eV. The system combines a high-density inductively coupled plasma ion source, high-voltage floating beam transport line with magnet mass-filter and neutral stripping, decelerator, and broad based detection capabilities (ions and neutrals in both mass and energy) for products leaving the target surface. The entire system was designed from the ground up to be a robust platform to study ion-surface interactions from a more global perspective, i.e., high fluxes (>100 µA/cm2) of a single ion species at low, tunable energy (50–1400±5 eV full width half maximum) can be delivered to a grounded target under ultrahigh vacuum conditions. The high current at low energy problem is solved using an accel-decel transport scheme where ions are created at the desired collision energy in the plasma source, extracted and accelerated to high transport energy (20 keV to fight space charge repulsion), and then decelerated back down to their original creation potential right before impacting the grounded target. Scattered species and those originating from the surface are directly analyzed in energy and mass using a triply pumped, hybrid detector composed of an electron impact ionizer, hemispherical electrostatic sector, and rf/dc quadrupole in series. With such a system, the collision kinematics, charge exchange, and chemistry occurring on the target surface can be separated by fully analyzing the scattered product flux. Key design aspects of the plasma source, beamline, and detection system are emphasized here to highlight how to work around physical limitations associated with high beam flux at low energy, pumping requirements, beam focusing, and scattered product analysis. Operational details of the beamline are discussed from the perspective of available beam current, mass resolution, projectile energy spread, and energy tunability. As well, performance of the overall system is demonstrated through three proof-of-concept examples: (1) elastic binary collisions at low energy, (2) core-level charge exchange reactions involving 20Ne+ with Mg/Al/Si/P targets, and (3) reactive scattering of CF2+/CF3+ off Si. These studies clearly demonstrate why low, tunable incident energy, as well as mass and energy filtering of products leaving the target surface is advantageous and often essential for studies of inelastic energy losses, hard-collision charge exchange, and chemical reactions that occur during ion-surface scattering

Charge-exchange mechanisms at the threshold for inelasticity in Ne+ collisions with surfaces

We present a study on scattering of 100–1400 eV Ne+ ions off Mg, Al, Si, and P surfaces. Exit energy distributions and yields of single-scattered Ne+ and Ne2+ were separately measured to investigate charge exchange mechanisms occurring at the onset of inelastic losses in binary hard collision events. At low incident energies, collisions appear elastic and projectile ion survival is dominated by nonlocal Auger-type neutralization involving the target valence band. However, once a critical Rmin (distance of closest approach) is reached, three phenomena occur simultaneously: Ne2+ generation, reversal of the Ne+ yield trend, and inelastic losses in Ne+ and Ne2+. Rmin values for the Ne2+ turn-on agree very well with the L-shell overlap distances of the colliding partners, suggesting that electron transfer involving the highly promoted 4fsigma molecular orbital (correlated to the Ne 2p) at close internuclear distance (~0.5 Å) is responsible. For the Ne+ yield, a clear transition from nonlocal neutralization to Rmin-dependent collision induced neutralization was observed. Binary collision inelasticities (Qbin) were evaluated for Ne+ and Ne2+ off Al and Si by taking into account electron straggling. Saturation-like behavior at RminNe** (2p43s2, 41–45 eV) and Ne+-->Ne+** (2p33s2/3s3p, 69–72 eV), followed by autoionization as the projectile leaves the surface region to give Ne+ and Ne2+. In contrast, Qbin values for Ne2+ at the +2 turn-on were seen much lower (35–40 eV off Al, 55–60 eV off Si) than that required for double promotion—eliminating the possibility that Ne2+ is only generated in double excitation of surviving Ne+. Thus single-electron excitation appears to be more important in the threshold region compared to the two-electron events seen at higher collision energies. In addition, the Ne+[Single Bond]P system shows striking similarities with the other target cases from the perspective of a well-defined Ne2+ turn-on, continually increasing Ne2+ yield with impact energy, and inelasticity values which point to the same 4fsigma excitation pathway. The decreasing Rmin requirement for higher target Z in terms of Ne2+ production has been confirmed for the Mg through P series, where hard collision excitation is governed by L-shell orbital overlaps

Evidence of Simultaneous Double-Electron Promotion in F+ Collisions with Surfaces

A high-flux beam of mass-filtered F+ at low energy (100–1300 eV) was scattered off Al and Si surfaces to study core-level excitations of F0 and F+. Elastic scattering behavior for F+ was observed at energies 450 (700) eV off Al (Si) produces F2+—behavior which is remarkably similar to Ne+ off the same surfaces. Inelasticities measured for single collision events agree well with the energy deficits required to form (doubly excited) F** and F+** states from F0 and F+, respectively; these excited species most likely decay to inelastic F+ and F2+ via autoionization

Harnessing the power of AI in business

The the first of the two masterclasses delivered to local microcompanies, SMEs and businesses designed to help them learn about digital technologies and AI and strategies helping them to implementing digital tools/ AI into their business. Key themes and objectives: - Introduction to AI in business and AI technologies - Challenges and benefits of AI to business – real-world examples and tips - Adoption challenges and how to overcome them - Responsible and ethical use of AI - Application of AI in your business (marketing, finance, healthcare) Benefits: - Organisations will gain an understanding of digital transformation in small business - Learn practical tips about tools that can be applied in the workplace to support change Who for? Small to medium sized organisations (SMEs) with an appetite for enhancing business capabilities and staying ahead in today’s competitive landscape

Generalized Unitary Coupled Cluster Wavefunctions for Quantum Computation

We introduce a unitary coupled-cluster (UCC) ansatz termed $k$-UpCCGSD that is based on a family of sparse generalized doubles (D) operators which provides an affordable and systematically improvable unitary coupled-cluster wavefunction suitable for implementation on a near-term quantum computer. $k$-UpCCGSD employs $k$ products of the exponential of pair coupled-cluster double excitation operators (pCCD), together with generalized single (S) excitation operators. We compare its performance in both efficiency of implementation and accuracy with that of the generalized UCC ansatz employing the full generalized SD excitation operators (UCCGSD), as well as with the standard ansatz employing only SD excitations (UCCSD). $k$-UpCCGSD is found to show the best scaling for quantum computing applications, requiring a circuit depth of $\mathcal O(kN)$, compared with $\mathcal O(N^3)$ for UCCGSD and $\mathcal O((N-\eta)^2 \eta)$ for UCCSD where $N$ is the number of spin orbitals and $\eta$ is the number of electrons. We analyzed the accuracy of these three ans\"atze by making classical benchmark calculations on the ground state and the first excited state of H$_4$ (STO-3G, 6-31G), H$_2$O (STO-3G), and N$_2$ (STO-3G), making additional comparisons to conventional coupled cluster methods. The results for ground states show that $k$-UpCCGSD offers a good tradeoff between accuracy and cost, achieving chemical accuracy for lower cost of implementation on quantum computers than both UCCGSD and UCCSD. Excited states are calculated with an orthogonally constrained variational quantum eigensolver approach. This is seen to generally yield less accurate energies than for the corresponding ground states. We demonstrate that using a specialized multi-determinantal reference state constructed from classical linear response calculations allows these excited state energetics to be improved

User's guide for the Total-Ozone Mapping Spectrometer (TOMS) instrument first year ozone T data set

The TOMS experiment and algorithms are described. Detailed information on the data available on computer tape is provided

Visual complexity, player experience, performance and physical exertion in motion-based games for older adults

Motion-based video games can have a variety of benefits for the players and are increasingly applied in physical therapy, rehabilitation and prevention for older adults. However, little is known about how this audience experiences playing such games, how the player experience affects the way older adults interact with motion-based games, and how this can relate to therapy goals. In our work, we decompose the player experience of older adults engaging with motion-based games, focusing on the effects of manipulations of the game representation through the visual channel (visual complexity), since it is the primary interaction modality of most games and since vision impairments are common amongst older adults. We examine the effects of different levels of visual complexity on player experience, performance, and exertion in a study with fifteen participants. Our results show that visual complexity affects the way games are perceived in two ways: First, while older adults do have preferences in terms of visual complexity of video games, notable effects were only measurable following drastic variations. Second, perceived exertion shifts depending on the degree of visual complexity. These findings can help inform the design of motion-based games for therapy and rehabilitation for older adults