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A Novel use of Direct Simulation Monte-Carlo to Model Dynamics of COVID-19 Pandemic Spread

Pacheco, Jose L.; Echo, Zakari S.; Hooper, Russell; Finley, Melissa; Manginell, Ronald

In this report, we evaluate a novel method for modeling the spread of COVID-19 pandemic. In this new approach we leverage methods and algorithms developed for fully-kinetic plasma physics simulations using Particle-In-Cell (PIC) Direct Simulation Monte-Carlo (DSMC) models. This approach then leverages Sandia-unique simulation capabilities, and High-Performance Computer (HPC) resources and expertise in particle-particle interactions using stochastic processes. Our hypothesis is that this approach would provide a more efficient platform with assumptions based on physical data that would then enable the user to assess the impact of mitigation strategies and forecast different phases of infection. This work addresses key scientific questions related to the assumptions this new approach must make to model the interactions of people using algorithms typically used for modeling particle interactions in physics codes (kinetic plasma, gas dynamics). The model developed uses rational/physical inputs while also providing critical insight; the results could serve as inputs to, or alternatives for, existing models. The model work presented was developed over a four-week time frame, thus far showing promising results and many ways in which this model/approach could be improved. This work is aimed at providing a proof-of-concept for this new pandemic modeling approach, which could have an immediate impact on the COVID-19 pandemic modeling, while laying a basis to model future pandemic scenarios in a manner that is timely and efficient. Additionally, this new approach provides new visualization tools to help epidemiologists comprehend and articulate the spread of this and other pandemics as well as a more general tool to determine key parameters needed in order to better predict pandemic modeling in the future. In the report we describe our model for pandemic modeling, apply this model to COVID-19 data for New York City (NYC), assess model sensitivities to different inputs and parameters and , finally, propagate the model forward under different conditions to assess the effects of mitigation and associated timing. Finally, our approach will help understand the role of asymptomatic cases, and could be extended to elucidate the role of recovered individuals in the second round of the infection, which is currently being ignored.

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A high-speed, high-performance, microfabricated comprehensive two-dimensional gas chromatograph

Lab on a Chip

Whiting, Joshua J.; Myers, Edward; Manginell, Ronald; Moorman, Matthew W.; Anderson, John M.; Fix, Cory S.; Washburn, Cody; Al StatonAl; Porter, Daniel; Graf, Darin; Wheeler, David R.; Howell, Stephen; Richards, John A.; Foulk, James W.; Achyuthan, Komandoor; Roukes, Michael; Simonson, Robert J.

A small, consumable-free, low-power, ultra-high-speed comprehensive GC×GC system consisting of microfabricated columns, nanoelectromechanical system (NEMS) cantilever resonators for detection, and a valve-based stop-flow modulator is demonstrated. The separation of a highly polar 29-component mixture covering a boiling point range of 46 to 253 °C on a pair of microfabricated columns using a Staiger valve manifold in less than 7 seconds, and just over 4 seconds after the ensemble holdup time is demonstrated with a downstream FID. The analysis time of the second dimension was 160 ms, and peak widths in the second dimension range from 10-60 ms. A peak capacity of just over 300 was calculated for a separation of just over 6 s. Data from a continuous operation testing over 40 days and 20000 runs of the GC×GC columns with the NEMS resonators using a 4-component test set is presented. The GC×GC-NEMS resonator system generated second-dimension peak widths as narrow as 8 ms with no discernable peak distortion due to under-sampling from the detector.

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Quantum dots with split enhancement gate tunnel barrier control

Applied Physics Letters

Rochette, S.; Rudolph, Martin; Roy, A.M.; Curry, Matthew; Eyck, G.A.T.; Manginell, Ronald; Wendt, Joel R.; Pluym, Tammy; Carr, Stephen M.; Ward, Daniel R.; Lilly, M.P.; Carroll, M.S.

We introduce a silicon metal-oxide-semiconductor quantum dot architecture based on a single polysilicon gate stack. The elementary structure consists of two enhancement gates separated spatially by a gap, one gate forming a reservoir and the other a quantum dot. We demonstrate that, in three devices based on two different versions of this elementary structure, a wide range of tunnel rates is attainable while maintaining single-electron occupation. A characteristic change in the slope of the charge transitions as a function of the reservoir gate voltage, attributed to screening from charges in the reservoir, is observed in all devices and is expected to play a role in the sizable tuning orthogonality of the split enhancement gate structure. The all-silicon process is expected to minimize strain gradients from electrode thermal mismatch, while the single gate layer should avoid issues related to overlayers (e.g., additional dielectric charge noise) and help improve the yield. Finally, reservoir gate control of the tunnel barrier has implications for initialization, manipulation, and readout schemes in multi-quantum dot architectures.

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Thermodynamic studies on a hydrogen bonded acidic 3,5-Bis(trifluoromethyl)phenol-functionalized polymer as a gas chromatography stationary phase for selectively speciating chemical warfare agents

Analytical Sciences

Read, Douglas; Achyuthan, Komandoor; Fix, Cory S.; Manginell, Ronald; Moorman, Matthew W.; Simonson, Robert J.; Wheeler, David R.; Whiting, Joshua J.

We describe for the first time hydrogen bonded acid (HBA) polymer, poly[methyl[3-(2-hydroxyl, 4,6-bistrifluoromethyl)- phenyl]propylsiloxane], (DKAP), as stationary phase for gas chromatography (μGC) of organophosphate (OP), chemical warfare agent (CWA) surrogates, dimethylmethylphosphonate (DMMP), diisopropylmethylphosphonate (DIMP), diethylmethylphosphonate (DEMP), and trimethylphosphate (TMP), with high selectivity. Absorption of OPs to DKAP was one-to-several orders of magnitude higher relative to commercial polar, mid-polar, and nonpolar stationary phases. We also present for the first-time thermodynamic studies on the absorption of OP vapors and quantitative binding energy data for interactions with various stationary phases. These data help to identify the best pair of hetero-polar columns for a two-dimensional GC system, employing a nonpolar stationary phase as GC1 and DKAP as the GC2 stationary phase, for selective and rapid field detection of CWAs.

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A silicon metal-oxide-semiconductor electron spin-orbit qubit

Nature Communications

Jock, Ryan M.; Jacobson, Noah T.; Harvey-Collard, Patrick; Mounce, Andrew M.; Srinivasa, Vanita; Ward, Daniel R.; Anderson, John M.; Manginell, Ronald; Wendt, Joel R.; Rudolph, Martin; Pluym, Tammy; Foulk, James W.; Baczewski, Andrew D.; Witzel, Wayne M.; Carroll, M.S.

The silicon metal-oxide-semiconductor (MOS) material system is a technologically important implementation of spin-based quantum information processing. However, the MOS interface is imperfect leading to concerns about 1/f trap noise and variability in the electron g-factor due to spin-orbit (SO) effects. Here we advantageously use interface-SO coupling for a critical control axis in a double-quantum-dot singlet-triplet qubit. The magnetic fieldorientation dependence of the g-factors is consistent with Rashba and Dresselhaus interface-SO contributions. The resulting all-electrical, two-Axis control is also used to probe the MOS interface noise. The measured inhomogeneous dephasing time, T2m, of 1.6 ?s is consistent with 99.95% 28Si enrichment. Furthermore, when tuned to be sensitive to exchange fluctuations, a quasi-static charge noise detuning variance of 2 μeV is observed, competitive with low-noise reports in other semiconductor qubits. This work, therefore, demonstrates that the MOS interface inherently provides properties for two-Axis qubit control, while not increasing noise relative to other material choices.

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Ion implantation for deterministic single atom devices

Review of Scientific Instruments

Bielejec, Edward S.; Pacheco, Jose L.; Perry, Daniel L.; Wendt, Joel R.; Ten Eyck, Gregory A.; Manginell, Ronald; Pluym, Tammy; Luhman, Dwight R.; Lilly, Michael; Carroll, M.S.

We demonstrate a capability of deterministic doping at the single atom level using a combination of direct write focused ion beam and solid-state ion detectors. The focused ion beam system can position a single ion to within 35 nm of a targeted location and the detection system is sensitive to single low energy heavy ions. This platform can be used to deterministically fabricate single atom devices in materials where the nanostructure and ion detectors can be integrated, including donor-based qubits in Si and color centers in diamond.

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Single-electron-occupation metal-oxide-semiconductor quantum dots formed from efficient poly-silicon gate layout

Physical Review Applied

Carroll, M.S.; Rochette, Sophie; Rudolph, Martin; Roy, A.M.; Curry, Matthew; Ten Eyck, Gregory A.; Manginell, Ronald; Wendt, Joel R.; Pluym, Tammy; Carr, Stephen M.; Ward, Daniel R.; Lilly, Michael; Pioro-Ladriere, Michel

We introduce a silicon metal-oxide-semiconductor quantum dot structure that achieves dot-reservoir tunnel coupling control without a dedicated barrier gate. The elementary structure consists of two accumulation gates separated spatially by a gap, one gate accumulating a reservoir and the other a quantum dot. Control of the tunnel rate between the dot and the reservoir across the gap is demonstrated in the single electron regime by varying the reservoir accumulation gate voltage while compensating with the dot accumulation gate voltage. The method is then applied to a quantum dot connected in series to source and drain reservoirs, enabling transport down to the single electron regime. Finally, tuning of the valley splitting with the dot accumulation gate voltage is observed. This split accumulation gate structure creates silicon quantum dots of similar characteristics to other realizations but with less electrodes, in a single gate stack subtractive fabrication process that is fully compatible with silicon foundry manufacturing.

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Microfabrication of a gadolinium-derived solid-state sensor for thermal neutrons

Journal of Radiation Research

Pfeifer, Kent B.; Achyuthan, Komandoor; Allen, Matthew; Denton, Michele L.B.; Siegal, Michael P.; Manginell, Ronald

Neutron sensing is critical in civilian and military applications. Conventional neutron sensors are limited by size, weight, cost, portability and helium supply. Here the microfabrication of gadolinium (Gd) conversion material-based heterojunction diodes for detecting thermal neutrons using electrical signals produced by internal conversion electrons (ICEs) is described. Films with negligible stress were produced at the tensile-compressive crossover point, enabling Gd coatings of any desired thickness by controlling the radiofrequency sputtering power and using the zero-point near p(Ar) of 50 mTorr at 100 W. Post-deposition Gd oxidation-induced spallation was eliminated by growing a residual stress-free 50 nm neodymium-doped aluminum cap layer atop Gd. The resultant coatings were stable for at least 6 years, demonstrating excellent stability and product shelf-life. Depositing Gd directly on the diode surface eliminated the air gap, leading to a 200-fold increase in electron capture efficiency and facilitating monolithic microfabrication. The conversion electron spectrum was dominated by ICEs with energies of 72, 132 and 174 keV. Results are reported for neutron reflection and moderation by polyethylene for enhanced sensitivity, and γ- and X-ray elimination for improved specificity. The optimal Gd thickness was 10.4 μm for a 300 μm-thick partially depleted diode of 300 mm 2 active surface area. Fast detection (within 10 min) at a neutron source-to-diode distance of 11.7 cm was achieved with this configuration. All ICE energies along with γ-ray and K α,β X-rays were modeled to emphasize correlations between experiment and theory. Semi-conductor thermal neutron detectors offer advantages for field-sensing of radioactive neutron sources.

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Probing low noise at the MOS interface with a spin-orbit qubit

arXiv.org

Jock, Ryan M.; Jacobson, Noah T.; Harvey-Collard, Patrick; Mounce, Andrew M.; Srinivasa, Vanita; Ward, Daniel R.; Anderson, John M.; Manginell, Ronald; Wendt, Joel R.; Rudolph, Martin; Pluym, Tammy; Foulk, James W.; Baczewski, Andrew D.; Witzel, Wayne M.; Carroll, M.S.

The silicon metal-oxide-semiconductor (MOS) material system is technologically important for the implementation of electron spin-based quantum information technologies. Researchers predict the need for an integrated platform in order to implement useful computation, and decades of advancements in silicon microelectronics fabrication lends itself to this challenge. However, fundamental concerns have been raised about the MOS interface (e.g. trap noise, variations in electron g-factor and practical implementation of multi-QDs). Furthermore, two-axis control of silicon qubits has, to date, required the integration of non-ideal components (e.g. microwave strip-lines, micro-magnets, triple quantum dots, or introduction of donor atoms). In this paper, we introduce a spin-orbit (SO) driven singlet- triplet (ST) qubit in silicon, demonstrating all-electrical two-axis control that requires no additional integrated elements and exhibits charge noise properties equivalent to other more model, but less commercially mature, semiconductor systems. We demonstrate the ability to tune an intrinsic spin-orbit interface effect, which is consistent with Rashba and Dresselhaus contributions that are remarkably strong for a low spin-orbit material such as silicon. The qubit maintains the advantages of using isotopically enriched silicon for producing a quiet magnetic environment, measuring spin dephasing times of 1.6 μs using 99.95% 28Si epitaxy for the qubit, comparable to results from other isotopically enhanced silicon ST qubit systems. This work, therefore, demonstrates that the interface inherently provides properties for two-axis control, and the technologically important MOS interface does not add additional detrimental qubit noise. isotopically enhanced silicon ST qubit systems

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Characterization of chemical contaminants and their spectral properties from an atmospheric pressure ns-pulsed microdischarge in neon

Physics of Plasmas

Sillerud, Colin; Schwindt, Peter D.; Moorman, Matthew W.; Yee, Benjamin T.; Anderson, John M.; Pfeifer, Nathaniel B.; Dirk, Elizabeth; Manginell, Ronald

Portable applications of microdischarges, such as the remediation of gaseous wastes or the destruction of volatile organic compounds, will mandate operation in the presence of contaminant species. This paper examines the temporal evolution of microdischarge optical and ultraviolet emissions during pulsed operation by experimental methods. By varying the pulse length of a microdischarge initiated in a 4-hole silicon microcavity array operating in a 655 Torr ambient primarily composed of Ne, we were able to measure the emission growth rates for different contaminant species native to the discharge environment as a function of pulse length. It was found that emission from hydrogen and oxygen impurities demonstrated similar rates of change, while emissions from molecular and atomic nitrogen, measured at 337.1 and 120 nm, respectively, exhibited the lowest rate of change. We conclude that it is likely that O2 undergoes the same resonant energy transfer process between rare gas excimers that has been shown for H2. Further, efficient resonant processes were found to be favored during ignition and extinction phases of the pulse, while emission at the 337.1 nm line from N2 was favored during the intermediate stage of the plasma. In addition to the experimental results, a zero-dimensional analysis is also presented to further understand the nature of the microdischarge.

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Coupling MOS quantum dot and phosphorous donor qubit systems

Technical Digest - International Electron Devices Meeting, IEDM

Rudolph, Martin; Jock, Ryan M.; Jacobson, Noah T.; Wendt, Joel R.; Pluym, Tammy; Dominguez, Jason; Ten Eyck, Gregory A.; Manginell, Ronald; Lilly, Michael; Carroll, M.S.; Harvey-Collard, P.

Si-MOS based QD qubits are attractive due to their similarity to the current semiconductor industry. We introduce a highly tunable MOS foundry compatible qubit design that couples an electrostatic quantum dot (QD) with an implanted donor. We show for the first time coherent two-axis control of a two-electron spin logical qubit that evolves under the QD-donor exchange interaction and the hyperfine interaction with the donor nucleus. The two interactions are tuned electrically with surface gate voltages to provide control of both qubit axes. Qubit decoherence is influenced by charge noise, which is of similar strength as epitaxial systems like GaAs and Si/SiGe.

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Fundamental Scaling of Microplasmas and Tunable UV Light Generation

Manginell, Ronald; Sillerud, Colin; Hopkins, Matthew M.; Yee, Benjamin T.; Moorman, Matthew W.; Schwindt, Peter D.; Anderson, John M.; Pfeifer, Nathaniel B.

The temporal evolution of spectral lines from microplasma devices (MD) was studied, including impurity transitions. Long-wavelength emission diminishes more rapidly than deep UV with decreasing pulse width and RF operation. Thus, switching from DC to short pulsed or RF operation, UV emissions can be suppressed, allowing for real-time tuning of the ionization energy of a microplasma photo-ionization source, which is useful for chemical and atomic physics. Scaling allows MD to operate near atmospheric pressure where excimer states are efficiently created and emit down to 65 nm; laser emissions fall off below 200 nm, making MD light sources attractive for deep UV use. A first fully-kinetic three-dimensional model was developed that explicitly calculates electron-energy distribution function. This, and non-continuum effects, were studied with the model and how they are impacted by geometry and transient or DC operation. Finally, a global non-dimensional model was developed to help explain general trends MD physics.

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Results 1–50 of 119
Results 1–50 of 119