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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Search for long-lived particles decaying to final states with a pair of muons in proton-proton collisions at $ \sqrt{s} $ = 13.6 TeV

An inclusive search for long-lived exotic particles (LLPs) decaying to final states with a pair of muons is presented. The search uses data corresponding to an integrated luminosity of 36.6 fb$^{−1}$ collected by the CMS experiment from the proton-proton collisions at $ \sqrt{s} $ = 13.6 TeV in 2022, the first year of Run 3 of the CERN LHC. The experimental signature is a pair of oppositely charged muons originating from a secondary vertex spatially separated from the proton-proton interaction point by distances ranging from several hundred μm to several meters. The sensitivity of the search benefits from new triggers for displaced dimuons developed for Run 3. The results are interpreted in the framework of the hidden Abelian Higgs model, in which the Higgs boson decays to a pair of long-lived dark photons, and of an R-parity violating supersymmetry model, in which long-lived neutralinos decay to a pair of muons and a neutrino. The limits set on these models are the most stringent to date in wide regions of lifetimes for LLPs with masses larger than 10 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Search for long-lived heavy neutrinos in the decays of B mesons produced in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search for long-lived heavy neutrinos (N) in the decays of B mesons produced in proton-proton collisions at $ \sqrt{s} $ = 13 TeV is presented. The data sample corresponds to an integrated luminosity of 41.6 fb$^{−1}$ collected in 2018 by the CMS experiment at the CERN LHC, using a dedicated data stream that enhances the number of recorded events containing B mesons. The search probes heavy neutrinos with masses in the range 1 < m$_{N}$ < 3 GeV and decay lengths in the range 10$^{−2}$ < cτ$_{N}$ < 10$^{4}$ mm, where τ$_{N}$ is the N proper mean lifetime. Signal events are defined by the signature B → ℓ$_{B}$NX; N → ℓ$^{±}$π$^{∓}$, where the leptons ℓ$_{B}$ and ℓ can be either a muon or an electron, provided that at least one of them is a muon. The hadronic recoil system, X, is treated inclusively and is not reconstructed. No significant excess of events over the standard model background is observed in any of the ℓ$^{±}$π$^{∓}$ invariant mass distributions. Limits at 95% confidence level on the sum of the squares of the mixing amplitudes between heavy and light neutrinos, |V$_{N}$|$^{2}$, and on cτ$_{N}$ are obtained in different mixing scenarios for both Majorana and Dirac-like N particles. The most stringent upper limit |V$_{N}$|$^{2}$ < 2.0 × 10$^{−5}$ is obtained at m$_{N}$ = 1.95 GeV for the Majorana case where N mixes exclusively with muon neutrinos. The limits on |V$_{N}$|$^{2}$ for masses 1 < m$_{N}$ < 1.7 GeV are the most stringent from a collider experiment to date.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRSDate not supplied

Impacts of aerosol size-dependent below-cloud scavenging on tropospheric aerosol in the NASA GEOS model

Wet deposition is the major sink for a suite of tropospheric aerosols, and thus largely affects the global distribution and lifetime of aerosols as well as the formation of clouds in the atmosphere. In this study, we implement the aerosol size-dependent below-cloud scavenging (BCS; washout) parameterization of Croft et al. (Atmos. Chem. Phys., 2009; hereafter referred to as C09) in the GOCART bulk aerosol scheme coupled with the NASA Goddard Earth Observing System (GEOS) model, and evaluate the simulated tropospheric aerosols against surface, airborne, and satellite observations. The current below-cloud scavenging in GOCART employs a first-order removal function with a constant scavenging coefficient that is independent of aerosol sizes and precipitation fluxes. The C09 BCS parameterization instead calculates aerosol below-cloud scavenging coefficients based on a size-dependent collision efficiency between aerosol particles and raindrops (or snow crystals). A look-up table of compiled collision efficiencies provides scavenging coefficients for sixty aerosol sizes and nine rain flux rates. We determine instantaneous coefficients according to the C09 BCS look-up table, precipitation fluxes, and a log-normal size distribution of aerosols. The implemented BCS parameterization tends to result in a large diversity of scavenging coefficient values with higher magnitudes, leading to more efficient scavenging. The model-simulated global mean tropospheric Pb-210 aerosol lifetime decreases from 7.4 days to 5.8 days. The separate consideration of rain and snow conditions in the scavenging coefficient lookup table leads to a bi-mode distribution of scavenging coefficients. These changes also cause increased mass fractions of smaller aerosols compared to the current simulation. We examine the impacts of the C09 BCS parameterization on the simulated aerosol vertical profiles, tropospheric lifetimes, and deposition fluxes through comparisons with NASA aircraft measurements (ATom), surface observations of aerosol concentrations (IMPROVE) and wet deposition fluxes (NADP and APQMP), and MODIS aerosol optical depth (AOD) retrievals.

Aerosols↗
NASA NTRS1992

Geometry and mass model of ionizing radiation experiments on the LDEF satellite

Extensive measurements related to ionizing radiation environments and effects were made on the LDEF satellite during its mission lifetime of almost 6 years. These data, together with the opportunity they provide for evaluating predictive models and analysis methods, should allow more accurate assessments of the space radiation environment and related effects for future missions in low Earth orbit. The LDEF radiation dosimetry data is influenced to varying degrees by material shielding effects due to the dosimeter itself, nearby components and experiments, and the spacecraft structure. A geometry and mass model is generated of LDEF, incorporating sufficient detail that it can be applied in determining the influence of material shielding on ionizing radiation measurements and predictions. This model can be used as an aid in data interpretation by unfolding shielding effects from the LDEF radiation dosimeter responses. Use of the LDEF geometry/mass model, in conjunction with predictions and comparisons with LDEF dosimetry data currently underway, will also allow more definitive evaluations of current radiation models for future mission applications.

Colborn, B. L.↗
NASA NTRS1992

Three-dimensional simulations of atmospheric methyl chloroform - Effect of an ocean sink

A global three-dimensional chemical tracer model of the distribution and seasonal cycles of the surface concentration of CH3CCl3 is compared with surface observations from the Atmospheric Lifetime Experiment (ALE) for the years 1980-1985. Two-dimensional OH distributions calculated by a photochemical model are empirically adjusted from observed trends in the global average and the interhemispheric ratio of methyl chloroform. The effects of the recently discovered ocean sink for methyl chloroform were investigated. The model simulates the 5-year record of observations made at the five ALE sampling sites to generally within +/- 5 percent of the observed mean. The calculated average global lifetime of methyl chloroform is 5.7 +/- 0.3 years. The estimated global mean OH concentration is 6.5 +/- 0.4 x 10 exp 5/cu cm. However, the inclusion of the ocean sink does not significantly improve the simulation of the observed interhemispheric gradient of methyl chloroform. Atmospheric transport dominates the simulated CH3CCl3 seasonal cycle throughout the Northern Hemisphere but is less important in the Southern Hemisphere.

Tie, X.↗
NASA NTRS1993

Lunar Scout Two spacecraft gravity experiment

Measurement of the gravity field of the Moon has a high science priority because of its implications for the internal structure and thermal history of the Moon, and it has a high priority for future exploration activities because of the influence of lunar gravity on spacecraft navigation and orbit maintenance. The current state of knowledge in the lunar gravity field (and the uncertainty in the knowledge) is based primarily on data accumulated from the Lunar Orbiter and Apollo programs. Data are sparse and emphasize the equatorial band (+/- 30 deg) on the near side of the Moon. There are no tracking data on the far side and only the Lunar Orbiter 5 provides a small amount of high inclination data. A host of gravity models developed from different combinations of tracking data have large discrepancies in their predictions of spacecraft motion and orbit lifetimes. There are also large disagreements in the Mercator projections of the gravity acceleration from each model, especially on the far side, where the contours tend to have no obvious relationship with the local topography. The science and engineering requirements for global gravity field mapping will be satisfied with continuous radio metric tracking of Lunar Scout 1 in a low polar orbit using the Deep Space Network and Lunar Scout 2 in a high elliptical orbit. The gravity field of the Moon will be mapped during the Scout Program using a two spacecraft concept. In the two spacecraft concept, one spacecraft is placed in a high altitude eccentric orbit while the second spacecraft is in a low altitude polar orbit. The gravity experiment requires a radio frequency that will permit two-way Doppler tracking between the spacecraft and the Deep Space Network (DSN). Both spacecraft carry NASA standard transponder systems for data transmission to Earth as well as for tracking and orbit determination. Data sufficient to produce a gravity field map could be acquired within one month with this system.

Cheng, Andrew F.↗
NASA NTRS2002

Maximizing TDRS Command Load Lifetime

The GNC software onboard ISS utilizes TORS command loads, and a simplistic model of TORS orbital motion to generate onboard TORS state vectors. Each TORS command load contains five "invariant" orbital elements which serve as inputs to the onboard propagation algorithm. These elements include semi-major axis, inclination, time of last ascending node crossing, right ascension of ascending node, and mean motion. Running parallel to the onboard software is the TORS Command Builder Tool application, located in the JSC Mission Control Center. The TORS Command Builder Tool is responsible for building the TORS command loads using a ground TORS state vector, mirroring the onboard propagation algorithm, and assessing the fidelity of current TORS command loads onboard ISS. The tool works by extracting a ground state vector at a given time from a current TORS ephemeris, and then calculating the corresponding "onboard" TORS state vector at the same time using the current onboard TORS command load. The tool then performs a comparison between these two vectors and displays the relative differences in the command builder tool GUI. If the RSS position difference between these two vectors exceeds the tolerable lim its, a new command load is built using the ground state vector and uplinked to ISS. A command load's lifetime is therefore defined as the time from when a command load is built to the time the RSS position difference exceeds the tolerable limit. From the outset of TORS command load operations (STS-98), command load lifetime was limited to approximately one week due to the simplicity of both the onboard propagation algorithm, and the algorithm used by the command builder tool to generate the invariant orbital elements. It was soon desired to extend command load lifetime in order to minimize potential risk due to frequent ISS commanding. Initial studies indicated that command load lifetime was most sensitive to changes in mean motion. Finding a suitable value for mean motion was therefore the key to achieving this goal. This goal was eventually realized through development of an Excel spreadsheet tool called EMMIE (Excel Mean Motion Interactive Estimation). EMMIE utilizes ground ephemeris nodal data to perform a least-squares fit to inferred mean anomaly as a function of time, thus generating an initial estimate for mean motion. This mean motion in turn drives a plot of estimated downtrack position difference versus time. The user can then manually iterate the mean motion, and determine an optimal value that will maximize command load lifetime. Once this optimal value is determined, the mean motion initially calculated by the command builder tool is overwritten with the new optimal value, and the command load is built for uplink to ISS. EMMIE also provides the capability for command load lifetime to be tracked through multiple TORS ephemeris updates. Using EMMIE, TORS command load lifetimes of approximately 30 days have been achieved.

Brown, Aaron J.↗
NASA NTRS1979

MSFC solar activity predictions for satellite orbital lifetime estimation

The procedure to predict solar activity indexes for use in upper atmosphere density models is given together with an example of the performance. The prediction procedure employs a least square linear regression model to generate the predicted smoothed vinculum R sub 13 and geomagnetic vinculum A sub p(13) values. Linear regression equations are then employed to compute corresponding vinculum F sub 10.7(13) solar flux values from the predicted vinculum R sub 13 values. The output is issued principally for satellite orbital lifetime estimations.

Fuler, H. C.↗
DOE OSTI2023

Coupled wave-current modeling for hydrodynamic load analysis of macroalgae cultivation farms

Large-scale cultivation of macroalgae is one of the most promising biofuel sources that could reduce our consumption of fossil fuels and would be particularly economically competitive when grown for the co-production of additional goods such as food and textiles. Current production of biofuel from algal biomass is limited by labor costs and lack of data on potential impacts of cultivation and harvesting on marine and coastal environments as well as a comprehensive characterization of the impact of environmental conditions on macroalgal feedstock and their bioproduct and biofuel yield and quality. Awarded by the United States (U.S.) Department of Energy Advanced Research Projects Agency-Energy (ARPA-E) Macroalgae Research Inspiring Novel Energy Resources (MARINER) program, which seeks to enable the U.S. as a global leader in the production of marine biomass, the Marine Biological Laboratory (MBL) has been developing a test system for tropical seaweed cultivation in the Gulf of Mexico and the Caribbean. An integral step in designing macroalgae cultivation farms is to adequately characterize the hydrodynamic climate at potential growth sites. In regions like the Gulf of Mexico and the Caribbean, which are highly exposed to tropical cyclones, it is critical to not only consider the day-to-day hydrodynamic conditions but to also assess the risk of extreme sea states to ensure the survivability of future macroalgae farms. Under these considerations, the Pacific Northwest National Laboratory (PNNL) is providing modeling support for MBL to inform the design and siting of the farm systems that have been proposed for their ARPA-E MARINER project. This report describes the development of a high-resolution coupled storm surge and wave model to simulate the hydrodynamics and wave climate at proposed macroalgae cultivation sites selected by MBL in Florida and Puerto Rico. Model results, including model validation, water level, current distributions, and sea states, are discussed for both selected sites in Florida and Puerto Rico coast. These simulations provide an accurate insight into the hydrodynamic conditions that a macroalgae farm is likely to experience during its operational lifetime, including current information to support fine-scale hydrodynamic load modeling, risk analysis and system design.

09 BIOMASS FUELS↗
NASA NTRS2005

Lessons Learned in the Livingstone 2 on Earth Observing One Flight Experiment

The Livingstone 2 (L2) model-based diagnosis software is a reusable diagnostic tool for monitoring complex systems. In 2004, L2 was integrated with the JPL Autonomous Sciencecraft Experiment (ASE) and deployed on-board Goddard's Earth Observing One (EO-1) remote sensing satellite, to monitor and diagnose the EO-1 space science instruments and imaging sequence. This paper reports on lessons learned from this flight experiment. The goals for this experiment, including validation of minimum success criteria and of a series of diagnostic scenarios, have all been successfully net. Long-term operations in space are on-going, as a test of the maturity of the system, with L2 performance remaining flawless. L2 has demonstrated the ability to track the state of the system during nominal operations, detect simulated abnormalities in operations and isolate failures to their root cause fault. Specific advances demonstrated include diagnosis of ambiguity groups rather than a single fault candidate; hypothesis revision given new sensor evidence about the state of the system; and the capability to check for faults in a dynamic system without having to wait until the system is quiescent. The major benefits of this advanced health management technology are to increase mission duration and reliability through intelligent fault protection, and robust autonomous operations with reduced dependency on supervisory operations from Earth. The work-load for operators will be reduced by telemetry of processed state-of-health information rather than raw data. The long-term vision is that of making diagnosis available to the onboard planner or executive, allowing autonomy software to re-plan in order to work around known component failures. For a system that is expected to evolve substantially over its lifetime, as for the International Space Station, the model-based approach has definite advantages over rule-based expert systems and limit-checking fault protection systems, as these do not scale well. The model-based approach facilitates reuse of the L2 diagnostic software; only the model of the system to be diagnosed and telemetry monitoring software has to be rebuilt for a new system or expanded for a growing system. The hierarchical L2 model supports modularity and expendability, and as such is suitable solution for integrated system health management as envisioned for systems-of-systems.

Hayden, Sandra C.↗
DOE OSTI2020

Uncovering the Role of Hole Traps in Promoting Hole Transfer from Multiexcitonic Quantum Dots to Molecular Acceptors

The understanding of electronic dynamics in multiexcitonic quantum dots (QDs) is important for designing efficient systems useful in high power scenarios, such as solar concentrators and multielectron charge transfer. The multiple charge carriers within a QD can undergo undesired Auger recombination events, which rapidly annihilate carriers on picosecond time scales and generate heat from absorbed photons instead of useful work. Compared to the transfer of multiple electrons, the transfer of multiple holes has proven to be more difficult due to slower hole transfer rates. To probe the competition between Auger recombination and hole transfer in CdSe, CdS, and CdSe/CdS QDs of varying sizes, we synthesized a phenothiazine derivative with optimized functionalities for binding to QDs as a hole accepting ligand and for spectroscopic observation of hole transfer. Transient absorption spectroscopy was used to monitor the photoinduced absorption features from both trapped holes and oxidized ligands under excitation fluences where the averaged initial number of excitons in a QD ranged from ~1 to 19. We observed fluence-dependent hole transfer kinetics that last around 100 ps longer than the predicted Auger recombination lifetimes, and the transfer of up to 3 holes per QD. Theoretical modeling of the kinetics suggests that binding of hole acceptors introduces trapping states significantly different from those in native QDs passivated with oleate ligands. Holes in these modified trap states have prolonged lifetimes, which promotes the hole transfer efficiency. These results highlight the beneficial role of hole-trapping states in devising hole transfer pathways in QD-based systems under multiexcitonic conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Twist Angle-Dependent Interlayer Exciton Lifetimes in van der Waals Heterostructures

In van der Waals (vdW) heterostructures formed by stacking two monolayers of transition metal dichalcogenides, multiple exciton resonances with highly tunable properties are formed and subject to both vertical and lateral confinement. We investigate how a unique control knob, the twist angle between the two monolayers, can be used to control the exciton dynamics. We observe that the interlayer exciton lifetimes in MoSe 2 /WSe 2 twisted bilayers (TBLs) change by one order of magnitude when the twist angle is varied from 1° to 3.5°. Additionally, using a low-energy continuum model, we theoretically separate two leading mechanisms that influence interlayer exciton radiative lifetimes. The shift to indirect transitions in the momentum space with an increasing twist angle and the energy modulation from the moiré potential both have a significant impact on interlayer exciton lifetimes. We further predict distinct temperature dependence of interlayer exciton lifetimes in TBLs with different twist angles, which is partially validated by experiments. While many recent studies have highlighted how the twist angle in a vdW TBL can be used to engineer the ground states and quantum phases due to many-body interaction, our studies explore its role in controlling the dynamics of optically excited states, thus, expanding the conceptual applications of “twistronics”.

36 MATERIALS SCIENCE↗
DOE OSTI2020

GEOPHIRES v2.0

GEOPHIRES v2.0 is a geothermal techno-economic simulation tool upgraded from GEOPHIRES v1.2. The name stands for "GEOthermal energy for Production of Heat and electricity (“IR”) Economically Simulated". GEOPHIRES combines reservoir, wellbore, and surface plant technical models with cost correlations and levelized cost models to estimate the capital and operation and maintenance costs, instantaneous and lifetime energy production, and overall levelized cost of energy of a geothermal plant. In addition to electricity generation, direct-use heat applications and combined heat and power or cogeneration can be modeled. Various upgrades have been implemented to develop GEOPHIRES v2.0, including: updating the built-in cost correlations, coupling to the external reservoir simulator TOUGH2, enhancing the built-in wellbore simulator, converting the programming language to Python, and making the code open-source. Users are encouraged to build upon the tool, e.g. by implementing their own correlations or coupling to other simulators.

Beckers, Koenraad↗
DOE OSTI2023

Decay spectroscopy of 160 Eu: Quasiparticle configurations of excited states and structure of K π = 4 + bandheads in 160 Gd

Background: Detailed spectroscopy of neutron-rich, heavy, deformed nuclei is of broad interest for nuclear astrophysics and nuclear structure. Nuclei in the r-process path and following freeze-out region impact the resulting r-process abundance distribution, and the structure of nuclei midshell in both proton and neutron number helps to understand the evolution of subshell gaps and large deformation in these nuclei. Purpose: We aim to improve the understanding of the nuclear structure of 160 Gd, specifically the K π = 4 + bands, as well as study the β decay of 160 Eu into 160 Gd. Methods: High-statistics decay spectroscopy of 160 Gd resulting from the β-decay of 160 Eu was collected using the GRIFFIN spectrometer at the TRIUMF-ISAC facility. Results: Two new excited states and ten new transitions were observed in 160 Gd. The β-decaying half-lives of the low- and high-spin isomers in 160 Eu were determined, and the low-spin state's half-life was measured to be t 1/2 = 26.0 (8) s, ≈ 16% shorter than previous measurements. Lifetimes of the two K π = 4 + bandheads in 160 Gd were measured for the first time, as well as γ – γ angular correlations and mixing ratios of intense transitions out of those bandheads. Conclusions: Lifetimes and mixing ratios suggest that the hexadecapole phonon model of the K π = 4 + bandheads in 160 Gd is preferred over a simple two-state strong mixing scenario, although further theoretical calculations are needed to fully understand these states. Additionally, the 1999.0-keV state in 160 Gd heavily populated in β decay is shown to have positive parity, which raises questions regarding the structure of the high-spin β-decaying state in 160 Eu.

150 ≤ A ≤ 189↗
DOE OSTI2024

Numerical coupling of aerosol emissions, dry removal, and turbulent mixing in the E3SM Atmosphere Model version 1 (EAMv1) – Part 1: Dust budget analyses and the impacts of a revised coupling scheme

Abstract. An earlier study evaluating dust life cycle in the Energy Exascale Earth System Model (E3SM) Atmosphere Model version 1 (EAMv1) has revealed that the simulated global mean dust lifetime is substantially shorter when higher vertical resolution is used, primarily due to significant strengthening of dust dry removal in source regions. This paper demonstrates that the sequential splitting of aerosol emissions, dry removal, and turbulent mixing in the model's time integration loop, especially the calculation of dry removal after surface emissions and before turbulent mixing, is the primary reason for the vertical resolution sensitivity reported in that earlier study. Based on this reasoning, we propose a revised numerical process coupling scheme that requires the least amount of code changes, in which the surface emissions are applied before turbulent mixing instead of before dry removal. The revised scheme allows newly emitted particles to be transported aloft by turbulence before being removed from the atmosphere, and hence better resembles the dust life cycle in the real world. Sensitivity experiments show that the revised process coupling substantially weakens dry removal and strengthens vertical mixing in dust source regions. It also strengthens the large-scale transport from source to non-source regions, strengthens dry removal outside the source regions, and strengthens wet removal and activation globally. In transient simulations of the years 2000–2009 conducted using 1∘ horizontal grid spacing, 72 vertical layers, and unchanged tuning parameters of emission strength, the revised process coupling leads to a 40 % increase in the global total dust burden and an increase of dust lifetime from 1.8 to 2.5 d in terms of 10-year averages. Weakened dry removal and increased mixing ratios are also seen for other aerosol species that have substantial surface emissions, although the changes in mixing ratio are considerably smaller for the submicron species than for dust and sea salt. Numerical experiments confirm that the revised coupling scheme significantly reduces the strong and non-physical sensitivities of model results to vertical resolution in the original EAMv1. This provides a motivation for adopting the revised scheme in EAM as well as for further improvements on the simple revision presented in this paper.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1985

A model for explaining some features of shuttle glow

A solid state model is proposed which hopefully removes some of the objections to excited atoms being sources for light emanating from surfaces. Glow features are discussed in terms of excited oxygen atoms impinged on the surface, although other species could be treated similarly. Band formation, excited lifetime shortening and glow color are discussed in terms of this model. The model's inability to explain glow emanating above surfaces indicates a necessity for other mechanisms to satisfy this requirements. Several ways of testing the model are described.

Peters, P. N.↗
NASA NTRS2019

The K Dwarf Advantage for Biosignatures on Directly Imaged Exoplanets

Oxygen and methane are considered to be the canonical biosignatures of modern Earth, and the simultaneous detection of these gases in a planetary atmosphere is an especially strong biosignature. However, these gases may be challenging to detect together in the planetary atmospheres because photochemical oxygen radicals destroy methane. Previous work has shown that the photochemical lifetime of methane in oxygenated atmospheres is longer around M dwarfs, but M dwarf planet habitability may be hindered by extreme stellar activity and evolution. Here, we use a 1D photochemical-climate model to show that K dwarf stars also offer a longer photochemical lifetime of methane in the presence of oxygen compared to G dwarfs. For example, we show that a planet orbiting a K6V star can support about an order of magnitude more methane in its atmosphere compared to an equivalent planet orbiting a G2V star. In the reflected-light spectra of worlds orbiting K dwarf stars, strong oxygen and methane features could be observed at visible and near-infrared wavelengths. Because K dwarfs are dimmer than G dwarfs, they offer a better planet-star contrast ratio, enhancing the signal-to-noise ratio (S/N) possible in a given observation. For instance, a 50 hr observation of a planet at 7 pc with a 15 m telescope yields S/N = 9.2 near 1 m for a planet orbiting a solar-type G2V star, and S/N = 20 for the same planet orbiting a K6V star. In particular, nearby mid-late K dwarfs such as 61 Cyg A/B, Epsilon Indi, Groombridge 1618, and HD 156026 may be excellent targets for future biosignature searches.

Arney, Giada N.↗
DOE OSTI2022

Polariton relaxation under vibrational strong coupling: Comparing cavity molecular dynamics simulations against Fermi’s golden rule rate

Under vibrational strong coupling (VSC), the formation of molecular polaritons may significantly modify the photo-induced or thermal properties of molecules. In an effort to understand these intriguing modifications, both experimental and theoretical studies have focused on the ultrafast dynamics of vibrational polaritons. Here, following our recent work [Li et al., J. Chem. Phys. 154, 094124 (2021)], we systematically study the mechanism of polariton relaxation for liquid CO 2 under a weak external pumping. Classical cavity molecular dynamics (CavMD) simulations confirm that polariton relaxation results from the combined effects of (i) cavity loss through the photonic component and (ii) dephasing of the bright-mode component to vibrational dark modes as mediated by intermolecular interactions. The latter polaritonic dephasing rate is proportional to the product of the weight of the bright mode in the polariton wave function and the spectral overlap between the polariton and dark modes. Both these factors are sensitive to parameters such as the Rabi splitting and cavity mode detuning. Compared to a Fermi’s golden rule calculation based on a tight-binding harmonic model, CavMD yields a similar parameter dependence for the upper polariton relaxation lifetime but sometimes a modest disagreement for the lower polariton. We suggest that this disagreement results from polariton-enhanced molecular nonlinear absorption due to molecular anharmonicity, which is not included in our analytical model. Finally, we also summarize recent progress on probing nonreactive VSC dynamics with CavMD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗