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At least 91 records · Page 5

Scanning tunneling spectroscopy of surface-oxidized Gallium-stabilized δ -phase plutonium

Here, the first contiguous experimental scanning tunneling spectroscopy (STS) measurements of the electronic structure of a plutonium (Pu) surface are presented and compared to current theoretical results. The experiments took place under UHV conditions, for which Pu is known to retain a native surface oxide. The STS data shows that no band gap is observable at room temperature. Theoretical calculations predict that bulk Pu oxides are semiconductors, but the spectral results for the cleaned Pu surface native oxide under UHV conditions could be better characterized as that of a semimetal.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Complementary Barrier Infrared Detector

The complementary barrier infrared detector (CBIRD) is designed to eliminate the major dark current sources in the superlattice infrared detector. The concept can also be applied to bulk semiconductor- based infrared detectors. CBIRD uses two different types of specially designed barriers: an electron barrier that blocks electrons but not holes, and a hole barrier that blocks holes but not electrons. The CBIRD structure consists of an n-contact, a hole barrier, an absorber, an electron barrier, and a p-contact. The barriers are placed at the contact-absorber junctions where, in a conventional p-i-n detector structure, there normally are depletion regions that produce generation-recombination (GR) dark currents due to Shockley-Read- Hall (SRH) processes. The wider-bandgap complementary barriers suppress G-R dark current. The barriers also block diffusion dark currents generated in the diffusion wings in the neutral regions. In addition, the wider gap barriers serve to reduce tunneling dark currents. In the case of a superlattice-based absorber, the superlattice itself can be designed to suppress dark currents due to Auger processes. At the same time, the barriers actually help to enhance the collection of photo-generated carriers by deflecting the photo-carriers that are diffusing in the wrong direction (i.e., away from collectors) and redirecting them toward the collecting contacts. The contact layers are made from materials with narrower bandgaps than the barriers. This allows good ohmic contacts to be made, resulting in lower contact resistances. Previously, THALES Research and Technology (France) demonstrated detectors with bulk InAsSb (specifically InAs0.91Sb0.09) absorber lattice-matched to GaSb substrates. The absorber is surrounded by two wider bandgap layers designed to minimize impedance to photocurrent flow. The wide bandgap materials also serve as contacts. The cutoff wavelength of the InAsSb absorber is fixed. CBIRD may be considered as a modified version of the THALES double heterostructure (DH) p-i-n device, but with even wider bandgap barriers inserted at the contact layer/absorber layer interfaces. It is designed to work with either bulk semiconductors or superlattices as the absorber material. The superlattice bandgap can be adjusted to match the desired absorption cutoff wavelength. This infrared detector has the potential of high-sensitivity operation at higher operating temperatures. This would reduce cooling requirements, thereby reducing the power, mass, and volume of the equipment and allowing an increased mission science return.

Ting, David Z.↗

Localizing individual exciton on a quantum Hall antidot

Excitons are bond states of electron-hole pairs formed through Coulomb interaction. While excitonic phases have been widely studied in semiconductors and quantum Hall double-layers, prior works largely focus on bulk systems with large number of excitons, limiting their applications in quantum devices. Here, employing the approach of quantum Hall antidot with two spatially separated edge channels, we demonstrate a type of quantum Hall quasiparticle exciton which represents a quantum-coherent bound state of an electron and a hole situated on their corresponding edges coupled through intralayer tunneling and Coulomb interaction. This approach allows localization and electrical tuning of individual quantum Hall excitons. Quantum-coherent dynamics of exciton are observed in the gate-dependence of antidot conductance peaks near the electron-hole resonance, which signifies a quantum superposition of vacuum- and electron-hole pairing states. Modeling the electron-hole pair as a coupled two-level system, semi-quantitative understanding of experimental observations is achieved. This work opens avenues for creating quantum systems of multiple quantum Hall quasiparticles.

36 MATERIALS SCIENCE↗

Aerodynamic characteristics of a large-scale model with a swept wing and a jet flap having an expandable duct

The data from an investigation of the aerodynamic characteristics of the expandable duct-jet flap concept are presented. The investigation was made using a large-scale model in the Ames 40- by 80-foot Wind Tunnel. The expandable duct-jet flap concept uses a lower surface, split flap and an upper surface, Fowler flap to form an internal, variable area cavity for the blowing air. Small amounts of blowing are used on the knee of the upper surface flap and the knee of a short-chord, trailing edge control flap. The bulk of the blowing is at the trailing edge. The flap could extend the full span of the model wing or over the inboard part only, with blown ailerons outboard. Primary configurations tested were two flap angles, typical of takeoff and landing; symmetric control flap deflections, primarily for improved landing performance; and asymmetric aileron and control flap deflections, for lateral control.

Aiken, T. N.↗

Probing Alkylpolyglycoside Hydrogen Bonding and Its Destabilization by Sulfonate Hydrotropes with X‑ray and Vibrational Spectroscopy

It has been proposed that intersurfactant H-bonding networks can produce highly stable foams, specifically those generated from solutions containing alkylpolyglycoside surfactants. In this work, we aim to characterize the presence and destabilization of these networks by introducing a hydrotrope (sodium p-toluene sulfate) at various concentrations into an alkylpolyglycoside (Glucopon 225 DK) surfactant containing solution. Solution surface properties are probed by using aerosol velocity map imaging X-ray photoelectron spectroscopy (A-VMI-XPS) and tensiometer measurements. Bulk properties below the surface are probed using Fourier transform infrared spectroscopy (FTIR) and C-edge near-edge X-ray fine structure spectroscopy (NEXAFS). The surface measurements provide the framework to describe the destabilization of the solution H-bonding network, while the bulk solution measurements provide hints about the disruption of the hydrogen bonding network upon hydrotrope addition. The collected data support the hypothesis that the destabilization of the intersurfactant H-bonding network frees surfactant molecules from the bulk, increasing surfactant population at the air/water interface. This was quantified through an increase in peak area and width in XPS measurements as well as a decrease in surfactant critical micelle concentration. Three regimes with increasing amounts of hydrotrope addition are suggested, described as (1) a hydrotrope affecting only surfactant surface properties, (2) a hydrotrope affecting surfactant surface and bulk properties, and (3) hydrotrope-dominated surface and bulk properties. Future studies will characterize foam stability across the hydrotrope concentration regimes to better define correlations between intersurfactant H-bonding networks and foam stability.

Molecules↗

Influence of corrugation-roughness shape on aerodynamic heating in thick turbulent boundary layers

The results of an experimental program to evaluate the effects of wave shape on heat transfer and pressure distributions of corrugation roughened flat plates in thick turbulent boundary layers are presented. The wave shaping effects studied were wavelength, wave amplitude, and wave radius. The experimental program consisted of tests in the sidewall boundary layer of the Langley Continuous Flow Hypersonic Tunnel at a Mach number of 10.3 and Reynolds numbers from 1.3 to 8.2 x 10 to the 6th per meter. The effects of wave shape are analyzed, correlated and compared with previous data obtained in both thick and thin boundary layers. The correlations include the effects of a large range of geometric, inviscid flow, internal boundary layer, and bulk boundary layer parameters in supersonic and hypersonic flow.

Brandon, H. J.↗

Martian dust threshold measurements: Simulations under heated surface conditions

Diurnal changes in solar radiation on Mars set up a cycle of cooling and heating of the planetary boundary layer, this effect strongly influences the wind field. The stratification of the air layer is stable in early morning since the ground is cooler than the air above it. When the ground is heated and becomes warmer than the air its heat is transferred to the air above it. The heated parcels of air near the surface will, in effect, increase the near surface wind speed or increase the aeolian surface stress the wind has upon the surface when compared to an unheated or cooled surface. This means that for the same wind speed at a fixed height above the surface, ground-level shear stress will be greater for the heated surface than an unheated surface. Thus, it is possible to obtain saltation threshold conditions at lower mean wind speeds when the surface is heated. Even though the mean wind speed is less when the surface is heated, the surface shear stress required to initiate particle movement remains the same in both cases. To investigate this phenomenon, low-density surface dust aeolian threshold measurements have been made in the MARSWIT wind tunnel located at NASA Ames Research Center, Moffett Field, California. The first series of tests examined threshold values of the 100 micron sand material. At 13 mb surface pressure the unheated surface had a threshold friction speed of 2.93 m/s (and approximately corresponded to a velocity of 41.4 m/s at a height of 1 meter) while the heated surface equivalent bulk Richardson number of -0.02, yielded a threshold friction speed of 2.67 m/s (and approximately corresponded to a velocity of 38.0 m/s at a height of 1 meter). This change represents an 8.8 percent decrease in threshold conditions for the heated case. The values of velocities are well within the threshold range as observed by Arvidson et al., 1983. As the surface was heated the threshold decreased. At a value of bulk Richardson number equal to -0.02 the threshold friction speed and threshold wind speed appears to level-off to a constant value. This trend also was observed in the MARSWIT experiments involving the 11 micron sized-silt material.

White, Bruce R.↗

Simulation of Ultra-Small MOSFETs Using a 2-D Quantum-Corrected Drift-Diffusion Model

We describe an electronic transport model and an implementation approach that respond to the challenges of device modeling for gigascale integration. We use the density-gradient (DG) transport model, which adds tunneling and quantum smoothing of carrier density profiles to the drift-diffusion model. We present the current implementation of the DG model in PROPHET, a partial differential equation solver developed by Lucent Technologies. This implementation approach permits rapid development and enhancement of models, as well as run-time modifications and model switching. We show that even in typical bulk transport devices such as P-N diodes and BJTs, DG quantum effects can significantly modify the I-V characteristics. Quantum effects are shown to be even more significant in small, surface transport devices, such as sub-0.1 micron MOSFETs. In thin-oxide MOS capacitors, we find that quantum effects may reduce gate capacitance by 25% or more. The inclusion of quantum effects in simulations dramatically improves the match between C-V simulations and measurements. Significant quantum corrections also occur in the I-V characteristics of short-channel MOSFETs due to the gate capacitance correction.

Biegel, Bryan A.↗

Commercial-Off-The-Shelf Microelectromechanical Systems (MEMS) Flow-Measurement Probes Fabricated And Assembled

As an alternative to conventional tubing instrumentation for measuring airflow, designers and technicians at the NASA Glenn Research Center have been fabricating packaging components and assembling a set of unique probes using commercial-off-the-shelf microelectromechanical systems (MEMS) integrated circuits (computer chips). Using MEMS as an alternative has some compelling advantages over standard measurement devices. Sensor technologies have matured through high-production usage in industries such as automotive and aircraft manufacturers. Currently, MEMS are the choice in applications such as tire pressure monitors, altimeters, pneumatic controls, cable leak detectors, and consumer appliances. Conventional instrumentation uses tubing buried in the model aerodynamic surfaces or wind tunnel walls. The measurements are made when pressure is introduced at the tube opening. The pressure then must travel the tubing for lengths ranging from 20 to hundreds of feet before reaching an electronic signal conditioner. This condition causes a considerable amount of damping and requires measurements to be made only after the test rig has reached steady-state operation. The electronic MEMS pressure sensor is able to take readings continuously under dynamic states in nearly real time. The use of stainless steel tubing for pressure measurements requires many tubes to be cleaned, cut to length, carefully installed, and delicately deburred and spliced for use. A cluster of a few hundred 1/16-in.- (0.0625-in.-) diameter tubes (not uncommon in research testing facilities) can be several inches in diameter and may weigh enough to require two men to handle. Replacing hard tubing with electronic chips can eliminate much of the bulk. Each sensor would fit on the tip of the 1/16-in. tubing with room to spare. The P592 piezoresistive silicon pressure sensor (Lucas NovaSensor, Fremont, CA) was chosen for this project because of its cost, availability, and tolerance to extreme ambient conditions. The chip is 1 mm square by 0.6 mm thick (0.039 by 0.023 in.) with 0.12-mm (0.005-in.) wire connection tabs. Three MEMS chips were used to build the first type of flow-angularity probe. This MEMS probe will be demonstrated as an alternative to a standard tube type "Cobra Probe" now used routinely in wind tunnel and aeronautical hardware applications. The response time and accuracy would allow the probe to be translated on an actuator across a flow field, yielding precision dynamic measurements not possible with conventional instrumentation. The low profile, the minimal power requirement, the rugged construction, and the moderate cost all contribute to making MEMS sensors the enticing choice instrument in future research measurement needs. The MEMS probe efforts are a continuation of work initiated by Brian Willis, without whose foresight and efforts this project would never have been realized. This task was funded through cooperation with the NASA Electronic Parts and Packaging (NEPP) program at the Jet Propulsion Laboratory.

Redding, Chip↗

Hypersonic Second-Mode Instability Response to Shaped Roughness

An experimental campaign was conducted on a 7-degree half-angle cone in the NASA Langley Research Center 20-Inch Mach 6 Wind Tunnel to examine the influence of arrays of regularly spaced roughness elements on instability growth and transition. The primary element shape was a pair of elliptical planform ramps that were inclined at equal and opposite angles with respect to the local streamwise direction. The element shapes were designed to induce transient growth disturbances that would lead to sustained azimuthal modulation of the boundary layer flow while limiting the nearfield disturbances to avoid an immediate, i.e., effective tripping of the boundary layer. The bulk of the run matrix consisted of testing different element height sat free stream unit Reynolds numbers ranging from 9.8 to 13.1 million per meter. Other element shapes previously designed for tripping hypersonic boundary layers were also implemented. The model was instrumented with surface mounted Kulite ® and PCB ® pressure transducers and thermocouples. Spectra from the PCBs ® indicated clear suppression of the second-mode instability; however, neither the PCB ® spectra nor the heat transfer data presented strong evidence for delayed turbulent flow. Complementary stability computations likewise demonstrated second-mode reduction, particularly just downstream of the roughness, but also revealed a rise in first mode (streak-instability) amplitudes from the baseline that was likely responsible for the earlier transition observed for taller roughness cases.

Hypersonics↗

Hypersonic Second-Mode Instability Response to Shaped Roughness

An experimental campaign was conducted on a 7-degree half-angle cone in the NASA Langley Research Center 20-Inch Mach 6 Wind Tunnel to examine the influence of arrays of regularly spaced roughness elements on instability growth and transition. The primary element shape was a pair of elliptical planform ramps that were inclined at equal and opposite angles with respect to the local streamwise direction. The element shapes were designed to induce transient growth disturbances that would lead to sustained azimuthal modulation of the boundary layer flow while limiting the nearfield disturbances to avoid an immediate, i.e., effective tripping of the boundary layer. The bulk of the run matrix consisted of testing different element height sat free stream unit Reynolds numbers ranging from 9.8 to 13.1 million per meter. Other element shapes previously designed for tripping hypersonic boundary layers were also implemented. The model was instrumented with surface mounted Kulite ® and PCB ® pressure transducers and thermocouples. Spectra from the PCBs ® indicated clear suppression of the second-mode instability; however, neither the PCB ® spectra nor the heat transfer data presented strong evidence for delayed turbulent flow. Complementary stability computations likewise demonstrated second-mode reduction, particularly just downstream of the roughness, but also revealed a rise in first mode (streak-instability) amplitudes from the baseline that was likely responsible for the earlier transition observed for taller roughness cases.

Hypersonics↗

Hypersonic Second Mode Instability Response to Shaped Roughness

An experimental campaign was conducted on a 7-degree half-angle cone in the NASA Langley Research Center 20-Inch Mach 6 Wind Tunnel to examine the influence of arrays of regularly spaced roughness elements on instability growth and transition. The primary element shape was a pair of elliptical planform ramps that were inclined at equal and opposite angles with respect to the local streamwise direction. The element shapes were designed to induce transient growth disturbances that would lead to sustained azimuthal modulation of the boundary layer flow while limiting the nearfield disturbances to avoid an immediate, i.e., effective tripping of the boundary layer. The bulk of the run matrix consisted of testing different element height sat free stream unit Reynolds numbers ranging from 9.8 to 13.1 million per meter. Other element shapes previously designed for tripping hypersonic boundary layers were also implemented. The model was instrumented with surface mounted Kulite ® and PCB ® pressure transducers and thermocouples. Spectra from the PCBs ® indicated clear suppression of the second-mode instability; however, neither the PCB ® spectra nor the heat transfer data presented strong evidence for delayed turbulent flow. Complementary stability computations likewise demonstrated second-mode reduction, particularly just downstream of the roughness, but also revealed a rise in first mode (streak-instability) amplitudes from the baseline that was likely responsible for the earlier transition observed for taller roughness cases.

Hypersonics↗

Bluntness and Supersaturation Effects on the Second Mode Instability in Mach 10 Flow

An experimental campaign was conducted on a 7-degree half-angle cone in the NASA Langley Research Center 31-Inch Mach 10 Tunnel to investigate the impact of nosetip radius and freestream supersaturation on the development of the second mode instability. The model was instrumented with surface-mounted Kulite® and PCB® pressure transducers and thermocouples. Power spectral density plots demonstrate the anticipated trends of the second mode instability weakening and shifting to lower frequencies with increased bluntness. Heat transfer measurements suggest laminar flow over the bulk of the model for most testing conditions, with evidence of transition by the cone base for the sharpest nosetip (R = 0.15 mm) at the higher unit Reynolds numbers. The dynamic surface pressure and heat transfer measurements show that reducing the temperature of the freestream to a supersaturated state has a significant stabilizing effect on the model boundary layer. The surface measurements are observed to be highly dependent on the level of clustering in the freestream. Significant changes in surface pressure spectra due to total temperature reduction are first noted below T0= 948 K, while more substantial fluctuation reductions are found below T0= 810 K.

Hypersonics↗

Observation of Persistent Zero Modes and Superconducting Vortex Doublets in UTe 2

Superconducting vortices can reveal electron pairing details and nucleate topologically protected states. Yet, vortices of bulk spin-triplet superconductors have never been visualized at the atomic scale. Recently, UTe 2 has emerged as a prime spin-triplet superconductor, but its superconducting order parameter is elusive, and whether time-reversal symmetry (TRS) is broken remains unsettled. Here, in this work, we visualize vortices on the (011) surface of ultraclean UTe 2 single crystals (T c = 2.1 K) using scanning tunneling microscopy (STM). We introduce $\frac{d^{2}𝐼}{d𝑉^{2}}$ imaging as an effective technique for vortex visualization in superconductors with substantial residual zero-energy density of states (DOS), as in UTe 2 . Anisotropic single-flux-quantum vortices, with coherence lengths of ∼12 nm (4 nm) parallel (perpendicular) to the a -axis, form a triangular vortex lattice (VL) under a small out-of-plane magnetic field. The invariance of vortex structures and VL under changes of field polarity and cooling history strongly supports time-reversal invariant superconductivity under zero field. At vortex cores (VCs), nonsplit, spectrally sharp zero-bias conductance peaks (ZBPs) persist up 8 T that are consistent with symmetry-protected Majorana zero modes (MZMs) in a topological vortex line. Close examination of vortex structures reveals a mirror-asymmetric doublet─one with ZBPs and another with an enhanced apparent gap, possibly originating from a field-induced multicomponent order parameter.

UTe2↗

Velocity and Temperature Measurements in High-speed Flows with Naturally Present Dust Particles Using Rayleigh and Mie Scattering

Dust particles and occasional moisture condensations are unavoidable reality of all wind tunnels. On the path to pursue a goal of velocity and temperature measurements in large transonic and supersonic wind tunnels we have created a tabletop, spectrally resolved, Rayleigh-Mie scattering setup around a small jet fed by ambient and lightly seeded air to determine the viability and accuracy of the technique. The other reality of a wind tunnel setup is the background scattering or the glare at laser frequency, which contaminates the Rayleigh-Mie scattered light. This is simulated by backgrounds with different reflectivity towards the collection optics. Light from a CW laser is delivered via an optical fiber and the scattered light is spectrally resolved using a stabilized Fabry-Perot interferometer, followed by imaging on an EMCCD camera. A model of the of the combined background glare, Mie scattering, and the Rayleigh spectrum was fitted to the camera image using maximum likelihood estimation. Since the background glare occurs at the known frequency of the incident light and the Mie scattering peak corresponds to the Doppler shift from the bulk velocity, both were easily identified, and provided a measure of flow velocity. Preliminary results show that the Rayleigh spectrum can also be resolved, which provides a measure of temperature. It is observed that a slight drift of the laser frequency during data collection affected fitting of the model function leading to larger error. A feedback loop-based stabilization system is on development to take advantage of slight tunability of the laser via a piezo-control. Preliminary results are presented in the abstract. More extensive data from a systematic survey will be presented in the final paper.

Rayleigh scattering↗

Nitric Oxide PLIF Measurements in the Hypersonic Materials Environmental Test System (HYMETS)

A nonintrusive laser-based measurement system has been applied for the first time in the HYMETS (Hypersonic Materials Environmental Test System) 400 kW arc-heated wind tunnel at NASA Langley Research Center. Planar laser-induced fluorescence of naturally occurring nitric oxide (NO) has been used to obtain instantaneous flow visualization images, and to make both radial and axial velocity measurements. Results are presented at selected facility run conditions, including some in simulated Earth atmosphere (75% nitrogen, 20% oxygen, 5% argon) and others in simulated Martian atmosphere (71% carbon dioxide, 24% nitrogen, 5% argon), for bulk enthalpies ranging from 6.5 MJ/kg to 18.4 MJ/kg. Flow visualization images reveal the presence of large scale unsteady flow structures, and indicate nitric oxide fluorescence signal over more than 70% of the core flow for bulk enthalpies below about 11 MJ/kg, but over less than 10% of the core flow for bulk enthalpies above about 16 MJ/kg. Axial velocimetry was performed using molecular tagging velocimetry (MTV). Axial velocities of about 3 km/s were measured along the centerline. Radial velocimetry was performed by scanning the wavelength of the narrowband laser and analyzing the resulting Doppler shift. Radial velocities of 0.5km/s were measured.

Inman, Jennifer A.↗

COTS MEMS Flow-Measurement Probes

As an alternative to conventional tubing instrumentation for measuring airflow, designers and technicians at Glenn Research Center have been fabricating packaging components and assembling a set of unique probes that contain commercial off-the-shelf (COTS) microelectromechanical systems (MEMS) sensor chips. MEMS sensor chips offer some compelling advantages over standard macroscopic measurement devices. MEMS sensor technology has matured through mass production and use in the automotive and aircraft industries. At present, MEMS are the devices of choice for sensors in such applications as tire-pressure monitors, altimeters, pneumatic controls, cable leak detectors, and consumer appliances. Compactness, minimality of power demand, rugged construction, and moderate cost all contribute to making MEMS sensors attractive for instrumentation for future research. Conventional macroscopic flow-measurement instrumentation includes tubes buried beneath the aerodynamic surfaces of wind-tunnel models or in wind-tunnel walls. Pressure is introduced at the opening of each such tube. The pressure must then travel along the tube before reaching a transducer that generates an electronic signal. The lengths of such tubes typically range from 20 ft (approx.= 6 m) to hundreds of feet (of the order of 100 m). The propagation of pressure signals in the tubes damps the signals considerably and makes it necessary to delay measurements until after test rigs have reached steady-state operation. In contrast, a MEMS pressure sensor that generates electronic output can take readings continuously under dynamic conditions in nearly real time. In order to use stainless-steel tubing for pressure measurements, it is necessary to clean many tubes, cut them to length, carefully install them, delicately deburr them, and splice them. A cluster of a few hundred 1/16-in.- (approx.=1.6-mm-) diameter tubes (such clusters are common in research testing facilities) can be several inches (of the order of 10 cm) in diameter and could weigh enough that two technicians are needed to handle it. Replacing hard tubing with electronic chips can eliminate much of the bulk. Each sensor would fit on the tip of a 1/16-in. tube with room to spare. The Lucas NovaSensor P592 piezoresistive silicon pressure sensor was chosen for this project because of its cost, availability, and tolerance to extreme ambient conditions. The sensor chip is 1 mm square by 0.6 mm thick (about 0.039 by 0.039 by 0.024 in.) and includes 0.12-mm (approx.=0.005-in.) wire connection tabs. The figure shows a flow-angularity probe that was built by use of three such MEMS chips. It is planned to demonstrate this MEMS probe as an alternative to a standard tube-type "Cobra" probe now used routinely in wind tunnels and aeronautical hardware. This MEMS probe could be translated across a flow field by use of a suitable actuator, so that its accuracy and the shortness of its response time could be exploited to obtain precise dynamic measurements of a sort that cannot be made by use of conventional tubing-based instrumentation.

Redding, Chip↗

Simulations of Attosecond Metallization in Quartz and Diamond Probed with Inner-Shell Transient Absorption Spectroscopy

When dielectrics are hit with intense infrared (IR) laser pulses, transient metalization can occur. The initial attosecond dynamics behind this metallization are not entirely understood. Therefore, simulations are needed to understand this process and to help interpret experimental observations of it, such as with attosecond transient absorption (ATA). In this paper, we present first-principles simulations of ATA based on bulk-mimicking clusters and real-time time-dependent density functional theory (RT-TDDFT), with Koopmans-tuned range-separated hybrid functionals and Gaussian basis sets. Our method gives good agreement with the experiment for the breakdown threshold in silica and diamond. This breakdown voltage corresponds to a Keldysh parameter of approximately one and thus involves a transition to a regime where the dynamics are driven by tunneling. Pumping at an amplitude just below this value causes a mixture of multiphoton and tunneling excitations across the band gap to occur. The computed extreme ultraviolet and X-ray attosecond transient spectra also agree well with the experiment and show a decrease in optical density due to the transient population of the conduction band from the IR field. First-principles approaches such as this are valuable for interpreting the complicated modulations in a spectrum and for guiding future attosecond experiments on solids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗