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Moore, B.

Publications and source records attributed to Moore, B..

12 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Photo-induced structural dynamics of o -nitrophenol by ultrafast electron diffraction

The photo-induced dynamics of o-nitrophenol, particularly its photolysis, has garnered significant scientific interest as a potential source of nitrous acid in the atmosphere. Although the photolysis products and preceding photo-induced electronic structure dynamics have been investigated extensively, the nuclear dynamics accompanying the non-radiative relaxation of o-nitrophenol on the ultrafast timescale, which include an intramolecular proton transfer step, have not been experimentally resolved. Herein, we present a direct observation of the ultrafast nuclear motions mediating photo-relaxation using ultrafast electron diffraction. Here, this work spatiotemporally resolves the loss of planarity which enables access to a conical intersection between the first excited state and the ground state after the proton transfer step, on the femtosecond timescale and with sub-Angstrom resolution. Our observations, supported by ab initio multiple spawning simulations, provide new insights into the proton transfer mediated relaxation mechanism in o-nitrophenol.

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

Conformer-specific photochemistry imaged in real space and time

Conformation-dependent dynamics play an important role in organic chemistry syntheses such as electrocyclic reactions, as well as in biological processes such as protein folding. However, current time-resolved experimental methods struggle to distinguish conformers from each other, and conformational isomerism is usually analyzed through reactant and product distributions. Using a combination of mega–electron volt ultrafast electron diffraction and quantum wave packet simulations, Champenois et al. directly followed the photochemical electrocyclic ring opening of the molecule α-phellandrene with femtosecond time resolution and confirmed that the transformation of a specific molecular conformer follows the famous Woodward-Hoffmann rules. The proposed method is potentially a powerful tool to follow conformer specificity in various organic and biological systems in real time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

The Ability of GeoCarb to Constrain the Interannual Variability of Carbon Gases over the Amazon

We perform a number of idealized assimilation experiments with the GEOS constituent data assimilation system to test the ability of GeoCarb retrievals of CO, CO2, and CH4 to constrain the interannual variability of these gases over the Amazon. Retrievals for instruments on other satellites which observe in similar channels (e.g. MOPITT, GOSAT, and OCO-2) are limited due to persistent cloud coverage. Given its ability to sample the same location multiple times in one day, the expectation is that GeoCarb retrievals will return more soundings than those from previous missions. The goal of the assimilation experiments is to understand which scanning strategies lead to the best sounding densities and thus have the best chance of constraining interannual variability in the carbon species. The experiments each begin by picking a given year at random from a nature run (i.e., a model simulation meant to represent the truth). The model fields are sampled according to a given strategy and then screened to account for cloud coverage. Next, we pick another year at random and assimilate the synthetic GeoCarb samples into the GEOS model for that year. The output of the assimilation, 6-hourly, 3D fields of each constituent, is then directly comparable to the nature run. This comparison allows us to evaluate the ability of GeoCarb measurements to constrain the interannual variability of each gas.

Weir, B.↗
NASA NTRS2017

Mid Infrared Instrument Cooler Subsystem Test Facility Overview

The Cryocooler for the Mid Infrared Instrument (MIRI) on the James Webb Space Telescope (JWST) provides cooling at 6.2K on the instrument interface. The cooler system design has been incrementally documented in previous publications [1][2][3][4][5]. It has components that traverse three primary thermal regions on JWST: Region 1, approximated by 40K; Region 2, approximated by 100K; and Region 3, which is at the allowable flight temperatures for the spacecraft bus. However, there are several sub-regions that exist in the transition between primary regions and at the heat reject interfaces of the Cooler Compressor Assembly (CCA) and Cooler Control Electronics Assembly (CCEA). The design and performance of the test facility to provide a flight representative thermal environment for acceptance testing and characterization of the complete MIRI cooler subsystem are presented.

Weilert, M.↗
NASA NTRS1990

A strategy to study regional hydrology and terrestrial ecosystem processes using satellite remote sensing, ground-based data and computer modeling

A strategy is presented for integrating scanning multichannel microwave radiometer data from the Nimbus-7 satellite with meteorological station records and computer simulations of land surface hydrology, terrestrial nutrient cycling, and trace gas emission. Analysis of the observations together with radiative transfer analysis shows that in the tropics the temporal and spatial variations of the polarization difference are determined primarily by the structure and phenology of vegetation and seasonal inundations of major rivers and wetlands. It is concluded that the proposed surface hydrology model, along with climatological records, and, potentially, 37-GHz data for phenology, will provide inputs to a terrestrial ecosystem model that predicts regional net primary production and CO2 gas exchange.

Vorosmarty, C.↗