Physical Sciences and Mathematics Commons^™

Replication Data For: Evaporation From Undulating Soil Surfaces Under Turbulent Airflow Through Numerical And Experimental Approaches, Bo Gao, Kathleen Smits, John Farnsworth

Earth & Environmental Sciences Datasets

Evaporation from undulating soil surfaces is rarely studied due to limited modeling theory and inadequate experimental data linking dynamic soil and atmospheric interactions. The goal of this paper is to provide exploratory insights into evaporation behavior from undulating soil surfaces under turbulent conditions through numerical and experimental approaches. A previously developed and verified coupled free flow and porous media flow model was extended by incorporating turbulent airflow through Reynolds-averaged Navier–Stokes equations. The model explicitly describes the relevant physical processes and the key properties in the free flow, porous media, and at the interface, allowing for the analysis of coupled exchange …

Replication Data For: Experimental And Numerical Study Of Evaporation From Wavy Surfaces By Coupling Free Flow And Porous Media Flow, Bo Gao, Kathleen Smits

Earth & Environmental Sciences Datasets

The macroscale roughness of the soil surface has significant influences on the mass/energy interactions between the subsurface and the atmosphere during evaporation. However, most previous works only consider evaporation behavior from flat surfaces. Based on experimental and numerical approaches, the goal of this work is to provide a framework for the understanding of the mechanisms of evaporation from irregular soil surfaces at representative elementary volume scale. A coupling free flow-porous media flow model was developed to describe evaporation under nonisothermal conditions. For simplicity, sinusoidal-type wavy surfaces were considered. To validate this modeling approach, an experiment using an open-ended wind tunnel …

Elastic Thickness And Crust-Mantle Interface Models Of Tharsis Bulge On Mars And Surrounding Areas, R. T. Ratheesh-Kumar, Dhananjay Ravat, Paul Morgan

Earth and Environmental Sciences Research Data

The datasets contain the final models of spatial variation of elastic thickness (Te) and the depth to Moho or the Crust-Mantle Interface (CMI) of the Tharsis Bulge and the surrounding regions derived from the software package LithoFLEX. The models are based on the crustal density of 2900 kg/m³, which was selected from analyzing results of a range of densities, and other standard lithospheric parameters. The models are useful for understanding the nature and evolution of the Tharsis Bulge and the surrounding regions.

First Quarter Data Sheets - Event Log, Chem Dump, Field Dump, Etc., Atlantic Richfield Company

Silver Bow Creek/Butte Area Superfund Site

No abstract provided.

Technology, Values, And Faith With Computer Scientist Derek Schuurman, Derek Schuurman

University Faculty Publications and Creative Works

Dr. Schuurman is a fellow of the American Scientific Affiliation, part of the leadership team for the West Michigan ASA chapter, an associate fellow of the The Kirby Laing Centre for Public Theology in Cambridge, senior member of the IEEE, member of the ACM, CES, ACMS, a book review editor for Perspectives on Science and Christian Faith, a regular contributor to the Christian Scholars Review blog, and a regular columnist for Christian Courier.

Replication Data For: Evaluation Of Model Concepts To Describe Water Transport In Shallow Subsurface Soil And Across The Soil–Air Interface, Zhen Li, Kathleen Smits

Earth & Environmental Sciences Datasets

Soil water evaporation plays a critical role in mass and energy exchanges across the land–atmosphere interface. Although much is known about this process, there is no agreement on the best modeling approaches to determine soil water evaporation due to the complexity of the numerical modeling scenarios and lack of experimental data available to validate such models. Existing studies show numerical and experimental discrepancies in the evaporation behavior and soil water distribution in soils at various scales, driving us to revisit the key process representation in subsurface soil. Therefore, the goal of this work is to test different mathematical formulations used …

Replication Data For: The Effect Of The Top Soil Layer On Moisture And Evaporation Dynamics, Zhen Li, Kathleen Smits

Earth & Environmental Sciences Datasets

Understanding the effect of the top soil layer on surface evaporation and water distribution is critical to modeling hydrological systems. However, the dependency of near-surface soil moisture and fluxes on layering characteristics remains unclear. To address this uncertainty, we investigate how the arrangement of soil horizons affects the evaporation and soil moisture, specifically, the near-surface soil moisture, through the combination of numerical simulations and evaporation experiments. The characteristics of fluxes and moisture from different soil profiles are then used to understand the soil layering conditions. Results show that the top soil layer can significantly affect the evolution of soil moisture …

Does A Bottom-Up Mechanism Promote Hypoxia In The Mississippi Bight?, Virginie Sanial, Willard S. Moore, Alan M. Shiller

Faculty Publications

The Mississippi Bight, east of the Mississippi River, is a complex coastal ecosystem that, like the better-known Louisiana Shelf to the west, experiences seasonal bottom water hypoxia. However, input of allochthonous nutrients from the Mississippi River to the Mississippi Bight appears to be limited, begging the question of what drives seasonal hypoxia in this system. Prior research has suggested submarine groundwater discharge (SGD) could be an overlooked component of the Mississippi Bight biogeochemical system. We thus examined the hypothesis that SGD provides a “bottom up” driver for seasonal hypoxia in this area. We used a multi-tracer approach based on known …

Loren Haarsma - When Did Sin Begin?, Loren Haarsma

University Faculty Publications and Creative Works

Patrick Hamilton speaks to Calvin University Professor, Loren Haarsma, about the origins of sin and various ways to make sense of the doctrine of original sin in light of evolutionary origins. Other topics of conversation include psychology, free will and the theology of Saint Augustine.

Supplementary Files For "Creating A Universal Depth-To-Load Conversion Technique For The Conterminous United States Using Random Forests", Jesse Wheeler, Brennan Bean, Marc Maguire

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As part of an ongoing effort to update the ground snow load maps in the United States, this paper presents an investigation into snow densities for the purpose of predicting ground snow loads for structural engineering design with ASCE 7. Despite their importance, direct measurements of snow load are sparse when compared to measurements of snow depth. As a result, it is often necessary to estimate snow load using snow depth and other readily accessible climate variables. Existing depth-to-load conversion methods, each of varying complexity, are well suited for snow load estimation for a particular region or station network, but …

Data From: Yellow Air Day Advisory Study, Arthur J. Caplan

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Using a dataset consisting of daily vehicle trips, PM2.5 concentrations, along with a host of climactic control variables, we test the hypothesis that “yellow air day” advisories provided by the Utah Division of Air Quality resulted in subsequent reductions in vehicle trips taken during northern Utah’s winter-inversion seasons in the early 2000s. Winter inversions occur in northern Utah when climactic conditions are such that PM2.5 concentrations (derived mainly from vehicle emissions) become trapped in the lower atmosphere, leading to unhealthy air quality (concentrations of at least 35 µg/m3) over a span of what are called “red air days”. When concentrations …

Replication Data For: Goehring Et Al., "The Transport History Of Alluvial Fan Sediment...", Nathan Brown

Earth & Environmental Sciences Datasets

This data repository contains: A) MATLAB source code B) Sample locations and chemical measurements used for Be-10 and C-14 analysis C) Dose recovery test results for luminescence protocol D) Sample locations and dosimetry information for luminescence samples.

Ultrahigh Resolution Ote-Ms Data For Ambient Daytime And Nighttime Aerosol And Ambient Fog Water From San Pietro Capofiume, Matthew Brege, Lynn Mazzoleni

Michigan Tech Research Data

This dataset and the methods used to obtain it are described in Chapter 3 of "EXTREME MOLECULAR DIVERSITY IN BIOMASS BURNING ATMOSPHERIC ORGANIC AEROSOL OBSERVED THROUGH ULTRAHIGH RESOLUTION MASS SPECTROMETRY" a Dissertation prepared by Matthew Brege and submitted as a Doctoral Thesis. This work can be accessed here: https://doi.org/10.37099/mtu.dc.etdr/927

Briefly, four days worth of concurrent daytime/nighttime aerosol and fog water samples were collected at San Pietro Capofiume in the Emilia Romagna region of Italy from 1-Dec to 4-Dec, 2015. The water soluble extracts of the aerosol filters and aliquots of the fog water were analyzed using ultrahigh resolution Orbitrap mass …

Amplification Of Hidden Periodic Motions In 3d Videos, Thomas Boccuto, Seraiah Kutai, Kristen Mosley, Samuel Kirk

Mathematics Summer Fellows

Ordinary videos capture a surprising amount of hidden, visually imperceptible information. For instance, videos of peoples' faces may capture color changes in the skin and artery motion from heartbeats, while videos of mechanical systems can capture subtle vibrations indicating imminent failure. Algorithms can extract and exaggerate these signals for visualization on top of the original videos. In particular, Eulerian magnification algorithms sidestep the need to track hidden motions directly and instead devise multiscale bandpass filters to amplify signals in local spatial regions. In this work, we extend these techniques beyond color videos to geometric video data captured by 3D depth …

Data From: High-Resolution Photoelectron Imaging Of Irb3-: Observation Of A P-Aromatic B3+ Ring Coordinated To A Transition Metal, Alexander I. Boldyrev, Maksim Kulichenko

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In a high-resolution photoelectron imaging and theoretical study of the IrB3− cluster, two isomers were observed experimentally with electron affinities (EAs) of 1.3147(8) and 1.937(4) eV. Quantum calculations revealed two nearly degenerate isomers competing for the global minimum, both with a B3 ring coordinated with the Ir atom.

Data From: Spherical Aromaticity In Inorganic Chemistry, Alexander I. Boldyrev, Maksim Kulichenko

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Chapter "14 - Spherical aromaticity in inorganic chemistry" in a book "Aromaticity - Modern Computational Methods and Applications"

Data From: Hydrated Sulfate Clusters So4(2-)(H2o)N(N=1-40): Charge Distribution Through Solvation Shells And Stabilization, Alexander I. Boldyrev, Maksim Kulichenko

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In the current work, we report our computational study of hydrated sulfate clusters SO4(2–)(H2O)n (n = 1–40) in order to understand the nature of stabilization of this important anion by water molecules. We showed that the most significant charge transfer from dianion SO4(2–) to H2O takes place at a number of H2O molecules n ≤ 7. The SO4(2–) directly donates its charge only to the first solvation shell and surprisingly, a small amount of electron density of 0.15|e| is enough to be transferred in order to stabilize the dianion.

Data From: Expansion Of Aromaticity Magnetic Criteria On Multi-Layer Structures. Magnetic Response And Spherical Aromaticity Of Matryoshka-Like [Sn@Cu12@Sn20]12- Cluster, Alexander I. Boldyrev, Maksim Kulichenko

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Structural characterization of the discrete [Sn@Cu12@Sn20]12− cluster exposed a fascinating architecture composed of three concentric structural layers in which an endohedral Sn atom is enclosed in a Cu12 icosahedron, which in turn is embedded in an Sn20 dodecahedron. Herein, the possibility of sustaining aromatic behavior for this prototypical multilayered species was evaluated, in order to extend this concept to more complex clusters on the basis of magnetic response and bonding analysis by the AdNDP approach. This revealed characteristic features of spherical aromatics, given by the ability to sustain the shielding cone property, similar to archetypal aromatics.

Data From: Σ-Aromaticity In The Mos2 Monolayer, Alexander I. Boldyrev, Maksim Kulichenko

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As is shown using the SSAdNDP approach, Mo and S form 2-centered bonds and there is a lone pair on each S. Most importantly, the remaining electrons are distributed over Mo atoms and form conjugated aromatic σ-bonds inside every hexagonal ring, which makes molybdenum the main carrier of σ-aromaticity.

Data From: Periodic F-Defects On The Mgo Surface As Potential Single-Defect Catalysts With Non-Linear Optical Properties, Alexander I. Boldyrev, Maksim Kulichenko

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In this paper we suggest a new type of a single-atom (or single-defect) catalyst – MgO with periodic defects on the (0 0 1) surface – which possesses noticeable non-linear optical properties. Periodicity of these defects leads to the significant extensive increase in the activity of a catalyst by growth of the concentration of active sites. In this work we showed the presence of diffuse electride-like multi-center bonds inside every periodic F-center. We also discovered that MgO with periodic defects on the surface gains non-linear optical properties due to electride-like polarizable bonds inside every defect. And most importantly, such defective …

Data From: 'Bottled' Spiro-Doubly Aromatic Trinuclear [Pd2ru]+ Complexes, Alexander I. Boldyrev, Maksim Kulichenko

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The central unit of the synthesized structure is a Ru atom which is the vertex of the [RuPd2]+ triangle being the first example of mixed triangles among these metals. Moreover, Ru is involved in both σ- and π-aromaticity. σ-aromaticity is realized as the d-AO based multicenter bond which is delocalized over the inner [RuPd2]+ triangle with considerable contribution from the sulfur electron density. Besides, transition metals are known to interact with the electron cloud of benzene which, in turn, leads to the charge transfer and formation of conjugated electron density between the TM and benzene. The second type of aromaticity, …

Data From: Can Aromaticity Be A Kinetic Trap? Example Of Mechanically Interlocked Aromatic [2-5]Catenanes Built From Cyclo[18]Carbon, Alexander I. Boldyrev, Nikita Fedik

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Project reports the analysis of interlocked C18 rings as building blocks for polycatenanes.

Data From: Boron-Made N2: Realization Of A Bb Triple Bond In The B2al3- Cluster, Alexander I. Boldyrev, Nikita Fedik

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Project reports B2Al3- cluster, which mimics triple bond N2 molecule.

Data From: Two Names Of Stability: Spherical Aromatic Or Superatomic Intermetalloid Cluster [Pd3sn8bi6]4−, Alexander I. Boldyrev, Nikita Fedik

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Project reports the aromaticity in the intermetalloid cluster [Pd3Sn8Bi6]4−.

Data From: Chemical Bonding Analysis Of Excited States Using The Adaptive Natural Density Partitioning Method, Alexander I. Boldyrev, Nikolay Tkachenko

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A novel approach to chemical bond analysis for excited states has been developed. Using an extended adaptive natural density partitioning method (AdNDP) as implemented in AdNDP 2.0 code, we obtained chemically intuitive bonding patterns for the excited states of H2O, B5+, and C2H4+ molecules. The deformation pathway in the excited states could be easily predicted based on the analysis of the chemical bond pattern. We expect that this new method of chemical bonding analysis would be very helpful for photochemistry, photoelectron spectroscopy, electron spectroscopy and other chemical applications that involved excited states.

Data From: Stability, Electronic, And Optical Properties Of Two-Dimensional Phosphoborane, Alexander I. Boldyrev, Nikolay Tkachenko

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The structure and properties of two-dimensional phosphoborane sheets were computationally investigated using Density Functional Theory calculations. The calculated phonon spectrum and band structure point to dynamic stability and allowed characterization of the predicted two-dimensional material as a direct-gap semiconductor with a band gap of ~1.5 eV. The calculation of the optical properties showed that the two-dimensional material has a relatively small absorptivity coefficient. The parameters of the mechanical properties characterize the two-dimensional phosphoborane as a relatively soft material, similar to the monolayer of MoS2. Assessment of thermal stability by the method of molecular dynamics indicates sufficient stability of the predicted …

Data From: Novel Strongly Correlated Europium Superhydrides, Alexander I. Boldyrev, Nikolay Tkachenko

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We conducted a joint experimental–theoretical investigation of the high-pressure chemistry of europium polyhydrides at pressures of 86–130 GPa. We discovered several novel magnetic Eu superhydrides stabilized by anharmonic effects: cubic EuH9, hexagonal EuH9, and an unexpected cubic (Pm3n) clathrate phase, Eu8H46. Monte Carlo simulations indicate that cubic EuH9 has antiferromagnetic ordering with TN of up to 24 K, whereas hexagonal EuH9 and Pm3n-Eu8H46 possess ferromagnetic ordering with TC = 137 and 336 K, respectively. The electron–phonon interaction is weak in all studied europium hydrides, and their magnetic ordering excludes s-wave superconductivity, except, perhaps, for distorted pseudohexagonal EuH9. The equations of …

Data From: A Sandwich-Type Cluster Containing Ge@Pd3 Planar Fragment Flanked By Aromatic Nonagermanide Caps, Alexander I. Boldyrev, Nikolay Tkachenko

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Sandwich-type clusters with the planar fragment containing a heterometallic sheet have remained elusive. In this work, we introduce the [K(2,2,2-crypt)]4{(Ge9)2[η6-Ge(PdPPh3)3]} complex that contains a heterometallic sandwich fragment. The title compound is structurally characterized by means of single-crystal X-ray diffraction, which reveals the presence of an unusual heteroatomic metal planar fragment Ge@Pd3. The planar fragment contains a rare formal zerovalent germanium core and a peculiar bonding mode of sp2-Ge@(PdPPh3)3 trigonal planar structure, whereas the nonagermanide fragments act as capping ligands. The chemical bonding pattern of the planar fragment consists of three 2c-2e Pd-Ge σ-bonds attaching Pd atoms to the core Ge …

Dataset For: Multiple Local Σ-Aromaticity Of Nonagermanide Clusters, Alexander I. Boldyrev, Nikolay Tkachenko

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Nonagermanide clusters are widely used in inorganic synthesis and are actively studied by experimentalists and theoreticians. However, chemical bonding of such versatile species is still not completely understood. In our work we deciphered a bonding pattern for various experimentally obtained nonagermanide species. We localized the electron density via the AdNDP algorithm for the model structures ([Ge9]4−, [Ge9{P(NH2)2}3]−, Cu[Ge9{P(NH2)2}3] and Cu(NHC)[Ge9{P(NH2)2}3]) and obtained a simple and chemically intuitive bonding pattern which can explain the variety of active sites and the existence of both D3h and C4v geometries for such clusters. Moreover, the [Ge9]4− core is found to be a unique example …

Data For: Record Low Ionization Potentials Of Alkali Metal Complexes With Crown Ethers And Cryptands, Alexander I. Boldyrev, Nikolay Tkachenko

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Electronic properties of series of alkali metals complexes with crown ethers and cryptands were studied via DFT hybrid functionals. For [M([2.2.2]crypt)] (M=Li, Na, K) extremely low (1.70–1.52 eV) adiabatic ionization potentials were found. Such low values of ionization energies are significantly lower than those of alkali metal atoms. Thus, the investigated complexes can be defined as superalkalis. As a result, our investigation opens up new directions in the designing of chemical species with record low ionization potentials and extends the explanation of the ability of the cryptates and alkali crown ether complexes to stabilize multiple charged Zintl ions.