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Articles 1 - 10 of 10
Full-Text Articles in Chemistry
Development Of A Methodology For The Quantification Of Reaerosolization Of A Biological Contaminate Surrogate Particle From A Military Uniform Fabric, George Cooksey, Jeremy M. Slagley, Casey W. Cooper, Douglas Lewis, Alisha Helm
Development Of A Methodology For The Quantification Of Reaerosolization Of A Biological Contaminate Surrogate Particle From A Military Uniform Fabric, George Cooksey, Jeremy M. Slagley, Casey W. Cooper, Douglas Lewis, Alisha Helm
Faculty Publications
In a mass casualty medical evacuation after a bioaerosol (BA) dispersal event, a decontamination (DC) method is needed that can both decontaminate and prevent biological particle (BP) re-aerosolization (RA) of contaminated clothes. However, neither the efficacy of current DC methods nor the risk of BP RA is greatly explored in the existing literature. The goals of this study were to develop a repeatable method to quantify the RA of a biological contaminant off military uniform fabric swatches and to test the efficacy of one DC protocol (high-volume, low-pressure water) using 1 µm polystyrene latex (PSL) spheres as a surrogate. A …
A Computational Approach For Mapping Electrochemical Activity Of Multi-Principal Element Alloys, Jodie A. Yuwono, Xinyu Li, Tyler D. Dolezal, Adib J. Samin, Javen Qinfeng Shi, Zhipeng Li, Nick Birbilis
A Computational Approach For Mapping Electrochemical Activity Of Multi-Principal Element Alloys, Jodie A. Yuwono, Xinyu Li, Tyler D. Dolezal, Adib J. Samin, Javen Qinfeng Shi, Zhipeng Li, Nick Birbilis
Faculty Publications
Multi principal element alloys (MPEAs) comprise an atypical class of metal alloys. MPEAs have been demonstrated to possess several exceptional properties, including, as most relevant to the present study a high corrosion resistance. In the context of MPEA design, the vast number of potential alloying elements and the staggering number of elemental combinations favours a computational alloy design approach. In order to computationally assess the prospective corrosion performance of MPEA, an approach was developed in this study. A density functional theory (DFT) – based Monte Carlo method was used for the development of MPEA ‘structure’; with the AlCrTiV alloy used …
Fate And Transport Of Per- And Polyfluoroalkyl Substances (Pfas) At Aqueous Film Forming Foam (Afff) Discharge Sites: A Review, Jeffery T. Mcgarr, Eric G. Mbonimpa, Drew C. Mcavoy, Mohamad R. Soltanian
Fate And Transport Of Per- And Polyfluoroalkyl Substances (Pfas) At Aqueous Film Forming Foam (Afff) Discharge Sites: A Review, Jeffery T. Mcgarr, Eric G. Mbonimpa, Drew C. Mcavoy, Mohamad R. Soltanian
Faculty Publications
Per- and polyfluorinated alkyl substances (PFAS) are an environmentally persistent group of chemicals that can pose an imminent threat to human health through groundwater and surface water contamination. In this review, we evaluate the subsurface behavior of a variety of PFAS chemicals with a focus on aqueous film forming foam (AFFF) discharge sites. AFFF is the primary PFAS contamination risk at sites such as airports and military bases due to use as a fire extinguisher. Understanding the fate and transport of PFAS in the subsurface environment is a multifaceted issue. This review focuses on the role of adsorbent, adsorbate, and …
Reinvigorating A Technical Countering Weapons Of Mass Destruction Distance Learning Graduate Certificate Program, James C. Petrosky, Gaiven Varshney, Jeremy Slagley, Sara Shaghaghi
Reinvigorating A Technical Countering Weapons Of Mass Destruction Distance Learning Graduate Certificate Program, James C. Petrosky, Gaiven Varshney, Jeremy Slagley, Sara Shaghaghi
Faculty Publications
Current Countering Weapons of Mass Destruction (CWMD) demands can be divided broadly into policy and science. The science of chemical, biological, and radiological/nuclear weapons informs the limits of development, production, employment, operation, detection, risk characterization, human and material protection, and medical intervention. In short, the science of weapons of mass destruction (WMD) should precede and inform the development of policy. It is to this end that the Air Force Institute of Technology (AFIT) CWMD program was re-established, providing a technical educational option for practitioners to understand the science behind a very technically challenging subject.
3-D Fabry–Pérot Cavities Sculpted On Fiber Tips Using A Multiphoton Polymerization Process, Jonathan W. Smith, Jeremiah C. Williams, Joseph S. Suelzer, Nicholas G. Usechak, Hengky Chandrahalim
3-D Fabry–Pérot Cavities Sculpted On Fiber Tips Using A Multiphoton Polymerization Process, Jonathan W. Smith, Jeremiah C. Williams, Joseph S. Suelzer, Nicholas G. Usechak, Hengky Chandrahalim
Faculty Publications
This paper presents 3-D Fabry–Pérot (FP) cavities fabricated directly onto cleaved ends of low-loss optical fibers by a two-photon polymerization (2PP) process. This fabrication technique is quick, simple, and inexpensive compared to planar microfabrication processes, which enables rapid prototyping and the ability to adapt to new requirements. These devices also utilize true 3-D design freedom, facilitating the realization of microscale optical elements with challenging geometries. Three different device types were fabricated and evaluated: an unreleased single-cavity device, a released dual-cavity device, and a released hemispherical mirror dual-cavity device. Each iteration improved the quality of the FP cavity's reflection spectrum. The …
The Lowest-Energy Isomer Of C2si2h4 Is A Bridged Ring: Reinterpretation Of The Spectroscopic Data Based On Dft And Coupled-Cluster Calculations, Jesse J. Lutz, Larry W. Burggraf
The Lowest-Energy Isomer Of C2si2h4 Is A Bridged Ring: Reinterpretation Of The Spectroscopic Data Based On Dft And Coupled-Cluster Calculations, Jesse J. Lutz, Larry W. Burggraf
Faculty Publications
The lowest-energy isomer of C2Si2H4 is determined by high-accuracy ab initio calculations to be the bridged four-membered ring 1,2-didehydro-1,3-disilabicyclo[1.1.0]butane (1), contrary to prior theoretical and experimental studies favoring the three-member ring silylsilacyclopropenylidene (2). These and eight other low-lying minima on the potential energy surface are characterized and ordered by energy using the CCSD(T) method with complete basis set extrapolation, and the resulting benchmark-quality set of relative isomer energies is used to evaluate the performance of several comparatively inexpensive approaches based on many-body perturbation theory and density functional theory (DFT). Double-hybrid DFT methods are found to …
Single-Reference Coupled Cluster Theory For Multi-Reference Problems, Johannes T. Margraf, Ajith Perera, Jesse J. Lutz, Rodney J. Bartlett
Single-Reference Coupled Cluster Theory For Multi-Reference Problems, Johannes T. Margraf, Ajith Perera, Jesse J. Lutz, Rodney J. Bartlett
Faculty Publications
Coupled cluster (CC) theory is widely accepted as the most accurate and generally applicable approach in quantum chemistry. CC calculations are usually performed with single Slater-determinant references, e.g., canonical Hartree-Fock (HF) wavefunctions, though any single determinant can be used. This is an attractive feature because typical CC calculations are straightforward to apply, as there is no potentially ambiguous user input required. On the other hand, there can be concern that CC approximations give unreliable results when the reference determinant provides a poor description of the system of interest, i.e., when the HF or any other single determinant ground state has …
Predictive Coupled-Cluster Isomer Orderings For Some SiNCM (M, N ≤ 12) Clusters: A Pragmatic Comparison Between Dft And Complete Basis Limit Coupled-Cluster Benchmarks, Jason N. Byrd, Jesse J. Lutz, Duminda S. Ranasinghe, Yifan Jin, Ajith Perera, Xiaofeng F. Duan, Larry W. Burggraf, John A. Montgomery Jr.
Predictive Coupled-Cluster Isomer Orderings For Some SiNCM (M, N ≤ 12) Clusters: A Pragmatic Comparison Between Dft And Complete Basis Limit Coupled-Cluster Benchmarks, Jason N. Byrd, Jesse J. Lutz, Duminda S. Ranasinghe, Yifan Jin, Ajith Perera, Xiaofeng F. Duan, Larry W. Burggraf, John A. Montgomery Jr.
Faculty Publications
The accurate determination of the preferred Si12C12 isomer is important to guide experimental efforts directed towards synthesizing SiC nano-wires and related polymer structures which are anticipated to be highly efficient exciton materials for opto-electronic devices. In order to definitively identify preferred isomeric structures for silicon carbon nano-clusters, highly accurate geometries, energies and harmonic zero point energies have been computed using coupled-cluster theory with systematic extrapolation to the complete basis limit for set of silicon carbon clusters ranging in size from SiC3 to Si12C12. It is found that post-MBPT(2) correlation energy plays a …
Reconfigurable Solid-State Dye-Doped Polymer Ring Resonator Lasers, Hengky Chandrahalim, Xudong Fan
Reconfigurable Solid-State Dye-Doped Polymer Ring Resonator Lasers, Hengky Chandrahalim, Xudong Fan
Faculty Publications
This paper presents wavelength configurable on-chip solid-state ring lasers fabricated by a single-mask standard lithography. The single- and coupled-ring resonator hosts were fabricated on a fused-silica wafer and filled with 3,3′-Diethyloxacarbocyanine iodide (CY3), Rhodamine 6G (R6G) and 3,3′-Diethylthiadicarbocyanine iodide (CY5)-doped polymer as the reconfigurable gain media. The recorded lasing threshold was ~220 nJ/mm2 per pulse for the single-ring resonator laser with R6G, marking the lowest threshold shown by solid-state dye-doped polymer lasers fabricated with a standard lithography process on a chip. A single-mode lasing from a coupled-ring resonator system with the lasing threshold of ~360 nJ/mm2 per pulse …
Using Nanotechnology To Detect Nerve Agents, Mark N. Goltz, Dong-Shik Kim, Leeann Racz
Using Nanotechnology To Detect Nerve Agents, Mark N. Goltz, Dong-Shik Kim, Leeann Racz
Faculty Publications
Nanotechnology has opened a wide range of opportunities having potential impacts in areas as diverse as medicine and consumer products. In collaboration with researchers at the University of Toledo UT, Air Force Institute of Technology AFIT scientists are exploring the possibility of using a nanoscale organic matrix to detect organophosphate OP nerve agents. Current techniques for detecting OP compounds are expensive and time consuming. Developing a nanoscale organic matrix sensor would allow for direct, real-time sensing under field conditions. This article describes the science behind such a sensor and its possible applications. High-performance sensors are needed to protect Soldiers and …