Projects

As a scientific user facility, the Environmental Molecular Sciences Laboratory (EMSL) provides expertise, instrumentation, and resources to 250 projects each year.

EMSL projects displayed on the EMSL web site project page reflect project abstracts and information migrated to this page before April 30, 2024. To review current and past EMSL user projects, visit EMSL Science Central.™

First-principles simulation of corrosion processes relevant to long-term technetium disposition via incorporation in metal alloy waste forms

Lead Institution

Los Alamos National Laboratory

Principal Investigator

Christopher Taylor

Project type

Exploratory Research

The selection of an appropriate method for the disposition of long-lived radioisotopes resulting from fission processes in nuclear reactors is an exceptionally challenging problem. Particularly…

Computational Study of Membrane Protein Dynamics in Lipid Bilayers

Lead Institution

Bowling Green State University

Principal Investigator

H. Peter Lu

Project type

Exploratory Research

Membrane proteins are extremely important and complex in living cells. Studying the dynamical processes of membrane proteins is crucial for uncovering the fundamental mechanisms and dynamics…

X- Ray Diffraction Studies on alpha-Titanium and alpha-beta Titanium Alloys Developed by a Low Cost Novel Powder Metallurgy Process

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Vineet Joshi

Project type

Exploratory Research

Titanium and its alloys possess unique strength to weight advantages over other popular alloys mainly used for automobile applications. Use of these alloys could substantially reduce the automobile…

Grating microfabrication for multimodal x-ray imaging

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Erin Miller

Project type

Exploratory Research

We propose to use the new microfabrication capabilities at EMSL to fabricate x-ray optics elements (gratings) for phase contrast x-ray imaging. Phase contrast x-ray imaging is a promising new…

A Microfabricated Preconcentration and Chemical Band Pass Filter for Volatile Organic Chemical Analysis

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Jon Wahl

Project type

Exploratory Research

The Department of Homeland Security Science and Technology Directorate has requested a solution to detect and alert the presence of WMD, explosives, humans, contraband, and anomalous substances in…

A Molecular Study of Electron/Hole Trapping in Irradiated Container Glass for Nuclear Forensics Investigations

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Jon Schwantes

Project type

Exploratory Research

Glass is well known for its resistance to damage from high radiation fields. Due to this resistive property, glass has been used as the storage matrix of choice for highly radioactive material, from…

Unveiling the structure, dynamics and spectral properties of aqueous clusters: A new theoretical approach

Lead Institution

University of California, Berkeley

Principal Investigator

Martin Head-Gordon

Project type

Exploratory Research

Elucidating the nature of aqueous solvation and in particular of hydrogen bonding are important for understanding chemical reactions in the atmosphere and at aqueous interfaces. Infrared (IR) and …

Carbon Tetrachloride Degradation Reaction Mechanisms (Amonette/Bylaska EMSP-CCl4, PNNL Scope #44012)

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

James Amonette

Project type

Exploratory Research

Characterize the mechanisms and kinetics of competing degradation reactions of carbon tetrachloride (CCl4) through laboratory experiments in simple model systems closely coordinated with theoretical…

Surface Structure and Chemistry of Carbonate Minerals (PNNL scope #19165)

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Donald Baer

Project type

Exploratory Research

To gain a fundamental molecular level understanding of carbonate mineral surfaces and their sorption behavior under complex geochemical conditions by executing an integrated experimental and…

Cellular Response to Hepatitis C Virus Infection: Global Quantitative Proteome AMT Tag Measurements of Cellular Protein Expression

Lead Institution

University of Washington

Principal Investigator

Michael Katze

Project type

Exploratory Research

Approximately 170 million individuals worldwide are infected with HCV and in the United States, there are approximately 4 million infected individuals and over 10,000 HCV associated deaths annually. …

NMR Chemical Shift Calculations for Novel Bioactive Metabolites from an Acid Mine Waste Organism

Lead Institution

Montana Technological University

Principal Investigator

David Hobbs

Project type

Exploratory Research

Metal contaminated mine-waste waters are a western regional problem in the US of major proportions. Remediation cost estimates range from $4-$50 billion dollars, and often remediation/recovery…

First Principles Calculations of Nanostructured Y2O3 Interface with Ferritic Matrix

Lead Institution

Los Alamos National Laboratory

Principal Investigator

Blas Uberuaga

Project type

Exploratory Research

To generate exceedingly high energy throughput to meet our energy needs almost all the advanced nuclear reactor concepts require operations under severe conditions of temperatures and radiation. The…

First-principle Studies for Actinide Materials

Lead Institution

Los Alamos National Laboratory

Principal Investigator

Enrique Batista

Project type

Exploratory Research

Actinide oxides, nitrides, and carbides are of both fundamental and applied interest. However, their physical and chemical complexity make them challenging systems to characterize both experimentally…

Multi-scale modeling of catalytic interfaces based on 2-D sub-nano surface-deposited clusters

Lead Institution

University of California, Los Angeles

Principal Investigator

Anastassia Alexandrova

Project type

Exploratory Research

The ultimate objective of the proposed research is fundamental understanding and design of novel catalytic interfaces based on ultra-small, sub-nano surface-deposited clusters (i-SNSDC), with a…

High Resolution Electron Microscopy Study of Complex Nanostructured Materials and Their Structural Transformations

Lead Institution

Yale University

Principal Investigator

Jun Liu

Project type

Exploratory Research

The objective of this proposal is to use EMSL's advanced electron microscopy facility to characterize the compositions and properties of the nanostructured catalysts and nanostructured materials…

Liquid Sampling-Atmospheric Pressure Glow Discharge (LS-APGD) Ionization Source for Elemental Analysis

Lead Institution

Clemson University

Principal Investigator

Richard Marcus

Project type

Exploratory Research

The development of a novel low power, low flow 'elemental' ionization source for applications in the areas of metallomics and transportable mass spectrometry is proposed. The liquid…

Characterization of Model Superacid Catalysts

Lead Institution

Oregon State University

Principal Investigator

Gregory Herman

Project type

Exploratory Research

The isomerization of n-alkanes is of much interest for the formation of branched hydrocarbons for improved quality fuels. Sulfated-zirconia is a promising next generation catalyst for these and…

Developing More Efficient Fuel Cells Using Computational Methods

Lead Institution

Los Alamos National Laboratory

Principal Investigator

Neil Henson

Project type

Large-Scale EMSL Research

This project proposes to use a number of state-of-the-art, highly parallelised computational chemistry tools in order to rationalise the fundamental chemical processes occurring at the atomic level…

Pressure Sensor

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

Allan Evans

Project type

Exploratory Research

We propose the development and fundamental demonstration of a MEMS pressure sensor technology that will operate in extreme pressures and temperatures. The initial performance target will be less…

Structure-reactivity relations for catalytic surfaces modified with self-assembled monolayers

Lead Institution

University of Colorado at Boulder

Principal Investigator

James Medlin

Project type

Exploratory Research

This Rapid Access proposal is aimed at conducting proof-of-concept studies to explore catalytic chemistry at model interfaces that are of great interest for improving understanding and developing new…

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