scholarly journals Towards a Fast, Open-Path Laser Hygrometer for Airborne Eddy Covariance Measurements

2021 ◽  
Vol 11 (11) ◽  
pp. 5189
Author(s):  
Felix Witt ◽  
Javis Nwaboh ◽  
Henning Bohlius ◽  
Astrid Lampert ◽  
Volker Ebert
Keyword(s):  
First Principles ◽  
Large Scale ◽  
Dew Point ◽  
Eddy Correlation ◽  
Open Path ◽  
Rotationally Symmetric ◽  
Flux Measurements ◽  
Eddy Covariance Measurements ◽  
Harsh Conditions ◽  
Maximal Relative Error

Water vapor fluxes play a key role in the energy budget of the atmosphere, and better flux measurements are needed to improve our understanding of the formation of clouds and storms. Large-scale measurements of these fluxes are possible by employing the eddy correlation (EC) method from an aircraft. A hygrometer used for such measurements needs to deliver a temporal resolution of at least 10 Hz while reliably operating in the harsh conditions on the exterior of an aircraft. Here, we present a design concept for a calibration-free, first-principles, open-path dTDLAS hygrometer with a planar, circular and rotationally symmetric multipass cell with new, angled coupling optics. From our measurements, the uncertainty of the instrument is estimated to be below 4.5% (coverage factor k = 1). A static intercomparison between a dTDLAS prototype of the new optics setup and a traceable dew point mirror hygrometer was conducted and showed a systematic relative deviation of 2.6% with a maximal relative error of 2.2%. Combined with a precision of around 1 ppm H2O at tropospheric conditions, the newly designed setup fulfills the static precision and accuracy requirements of the proposed airborne EC hygrometer.

Accelerated Discovery of High-Refractive-Index Polyimides via First-Principles Molecular Modeling, Virtual High-Throughput Screening, and Data Mining

2019 ◽  
Author(s):  
Mohammad Atif Faiz Afzal ◽  
Mojtaba Haghighatlari ◽  
Sai Prasad Ganesh ◽  
Chong Cheng ◽  
Johannes Hachmann
Keyword(s):  
Data Mining ◽  
Refractive Index ◽  
High Throughput ◽  
First Principles ◽  
High Throughput Screening ◽  
Large Scale ◽  
Computational Study ◽  
High Refractive Index ◽  
Structural Features ◽  
Learning Program

<div>We present a high-throughput computational study to identify novel polyimides (PIs) with exceptional refractive index (RI) values for use as optic or optoelectronic materials. Our study utilizes an RI prediction protocol based on a combination of first-principles and data modeling developed in previous work, which we employ on a large-scale PI candidate library generated with the ChemLG code. We deploy the virtual screening software ChemHTPS to automate the assessment of this extensive pool of PI structures in order to determine the performance potential of each candidate. This rapid and efficient approach yields a number of highly promising leads compounds. Using the data mining and machine learning program package ChemML, we analyze the top candidates with respect to prevalent structural features and feature combinations that distinguish them from less promising ones. In particular, we explore the utility of various strategies that introduce highly polarizable moieties into the PI backbone to increase its RI yield. The derived insights provide a foundation for rational and targeted design that goes beyond traditional trial-and-error searches.</div>

scholarly journals The impact of broadleaved woodland on water resources in lowland UK: II. Evaporation estimates from sensible heat flux measurements over beech woodland and grass on chalk sites in Hampshire

2005 ◽  
Vol 9 (6) ◽  
pp. 607-613 ◽  
Author(s):  
J. Roberts ◽  
P. Rosier ◽  
D. M. Smith
Keyword(s):  
Heat Flux ◽  
Energy Balance ◽  
Excellent Agreement ◽  
Sensible Heat Flux ◽  
Late Summer ◽  
Eddy Correlation ◽  
Sensible Heat ◽  
Flux Measurements ◽  
Shallow Soils ◽  
The Impact

Abstract. The impact on recharge to the Chalk aquifer of substitution of broadleaved woodland for pasture is a matter of concern in the UK. Hence, measurements of energy balance components were made above beech woodland and above pasture, both growing on shallow soils over chalk in Hampshire. Latent heat flux (evaporation) was calculated as the residual from these measurements of energy balances in which sensible heat flux was measured with an eddy correlation instrument that determined fast response vertical wind speeds and associated temperature changes. Assessment of wind turbulence statistics confirmed that the eddy correlation device performed satisfactorily in both wet and dry conditions. There was excellent agreement between forest transpiration measurements made by eddy correlation and stand level tree transpiration measured with sap flow devices. Over the period of the measurements, from March 1999 to late summer 2000, changes in soil water content were small and grassland evaporation and transpiration estimated from energy balance-eddy flux measurements were in excellent agreement with Penman estimates of potential evaporation. Over the 18-month measurement period, the cumulative difference between broadleaved woodland and grassland was small but evaporation from the grassland was 3% higher than that from the woodland. In the springs of 1999 and 2000, evaporation from the grassland was greater than that from the woodland. However, following leaf emergence in the woodland, the difference in cumulative evaporation diminished until the following spring.

Disordering of MgAl2O4 spinel from first principles

2000 ◽  
Vol 64 (2) ◽  
pp. 311-317 ◽  
Author(s):  
M. C. Warren ◽  
M. T. Dove ◽  
S. A. T. Redfern
Keyword(s):  
Free Energy ◽  
Electronic Structure ◽  
First Principles ◽  
Large Scale ◽  
Experimental Measurements ◽  
Zero Temperature ◽  
Macroscopic Models ◽  
Tetrahedral Sites ◽  
Degree Of Order ◽  
Good Agreement

AbstractAt high temperature, MgAl2O4 spinel is stabilized by disorder of Mg and Al between octahedral and tetrahedral sites. This behaviour has been measured up to 1700 K in recent neutron experiments, but the extrapolation of subsequently fitted thermodynamic models is not reliable. First principles simulation of the electronic structure of such minerals can in principle accurately predict disorder, but would require unfeasibly large computing resources. We have instead parameterized on-site and short-ranged cluster potentials using a small number of electronic structure simulations at zero temperature. These potentials were then used in large-scale statistical simulations at finite temperatures to predict disordering thermodynamics beyond the range of experimental measurements. Within the temperature range of the experiment, good agreement is obtained for the degree of order. The entropy and free energy are calculated and compared to those from macroscopic models.

scholarly journals Upper-Bound General Circulation of the Ocean: a Theoretical Exposition

2021 ◽  
Author(s):  
Hsien-Wang Ou
Keyword(s):  
Ocean Circulation ◽  
Upper Bound ◽  
First Principles ◽  
General Circulation ◽  
Large Scale ◽  
Companion Paper ◽  
Jet Stream ◽  
Equatorial Undercurrent ◽  
Macroscopic Motion ◽  
Dynamical Principle

This paper considers the general ocean circulation within the thermodynamical closure of our climate theory, which aims to deduce the generic climate state from first principles. The preceding papers of the theory have reduced planetary fluids to warm/cold masses and determined their bulk thermal properties, which provide prior constraints for the derivation of the upper-bound circulation when the potential vorticity is homogenized in moving masses. In a companion paper on the atmosphere, this upper bound is seen to reproduce the prevailing wind, forsaking therefore previous discordant explanations of the easterly trade and the polar jet stream. In this paper on the ocean, we again show that this upper bound may replicate broad features of the observed circulation, including a western-intensified subtropical gyre and a counter-rotating tropical gyre feeding the equatorial undercurrent. Together, we posit that PV homogenization may provide a unifying dynamical principle of the large-scale planetary circulation, which may be interpreted as the maximum macroscopic motion extractable by microscopic stirring --- within the confine of the thermal differentiation.

scholarly journals Options to correct local turbulent flux measurements for large-scale fluxes using a LES-based approach

2021 ◽  
Author(s):  
Matthias Mauder ◽  
Andreas Ibrom ◽  
Luise Wanner ◽  
Frederik De Roo ◽  
Peter Brugger ◽  
...  
Keyword(s):  
Eddy Covariance ◽  
Large Scale ◽  
Heat Fluxes ◽  
Eddy Covariance Method ◽  
Boundary Layer Height ◽  
Secondary Circulations ◽  
Low Pass ◽  
Measurement Height ◽  
Flux Measurements ◽  
Dispersive Fluxes

Abstract. The eddy-covariance method provides the most direct estimates for fluxes between ecosystems and the atmosphere. However, dispersive fluxes can occur in the presence of secondary circulations, which can inherently not be captured by such single-tower measurements. In this study, we present options to correct local flux measurements for such large-scale transport based on a non-local parametric model that has been developed from a set of idealized LES runs for three real-world sites. The test sites DK-Sor, DE-Fen, and DE-Gwg, represent typical conditions in the mid-latitudes with different measurement height, different terrain complexity and different landscape-scale heterogeneity. Different ways to determine the boundary-layer height, which is a necessary input variable for modelling the dispersive fluxes, are applied, either from operational radio-soundings and local in-situ measurements for the flat site or from backscatter-intensity profile obtained from collocated ceilometers for the two sites in complex terrain. The adjusted total fluxes are evaluated by assessing the improvement in energy balance closure and by comparing the resulting latent heat fluxes with evapotranspiration rates from nearby lysimeters. The results show that not only the accuracy of the flux estimates is improved but also the precision, which is indicated by RMSE values that are reduced by approximately 50 %. Nevertheless, it needs to be clear that this method is intended to correct for a bias in eddy-covariance measurements due to the presence of large-scale dispersive fluxes. Other reasons potentially causing a systematic under- or overestimation, such as low-pass filtering effects and missing storage terms, still need to be considered and minimized as much as possible. Moreover, additional transport induced by surface heterogeneities is not considered.

scholarly journals Tuning the Performance of Aqueous Organic Redox Flow Batteries from First Principles

2020 ◽  
Author(s):  
Junting Yu ◽  
Tianshou Zhao ◽  
Ding Pan
Keyword(s):  
Energy Storage ◽  
First Principles ◽  
High Performance ◽  
Large Scale ◽  
Electrical Energy ◽  
Ab Initio Molecular Dynamics ◽  
Redox Potentials ◽  
Redox Flow Batteries ◽  
Flow Batteries ◽  
Entropy Effects

<div>Aqueous organic redox flow batteries have many appealing properties in the application of large-scale energy storage. The large chemical tunability of organic electrolytes shows great potential to improve the performance of flow batteries. Computational studies at the quantum-mechanics level are very useful to guide experiments, but in previous studies explicit water interactions and thermodynamic effects were ignored. Here, we applied the computational electrochemistry method based on ab initio molecular dynamics to calculate redox potentials of quinones and their derivatives. The calculated results are in excellent agreement with experimental data. We mixed side chains to tune their reduction potentials, and found that solvation interactions and entropy effects play a significant role in side-chain engineering. Based on our calculations, we proposed several high-performance negative and positive electrolytes. Our first-principles study paves the way towards the development of large-scale and sustainable electrical energy storage.</div>

Sign in / Sign up

Export Citation Format

Share Document