Chemistry Division Capabilities

Actinide Analytical Chemistry, C-AAC
Chemical Diagnostics and Engineering, C-CDE
Actinide, Catalysis and Separations Chemistry, C-IIAC
Isotope and Nuclear and Radiochemistry, C-NR
Physical Chemistry and Applied Spectroscopy, C-PCS

Actinide Analytical Chemistry, C-AAC

Onsite Analytical Chemistry

• Provide onsite radiochemistry and trace metal analysis by inductive coupled plasma-atomic emission spectroscopy (ICP-AES) at Technical Area 55.

Pu Assay and Classical Chemistry

• Controlled potential coulometric titration
• Ceric titration - photometric method
• Pu (III) and Pu (IV) spectrophotometric method
• U Assay – Davies Gray
• Fe determination by spectrophotometry
• Si determination by spectrophotometry
• Loss on Ignition (LOI)
• Free acid determination in plutonium-containing solutions
• Standard solution preparation

Trace Element Analysis

• Inductively coupled plasma atomic emission and mass spectrometry (ICP-AES/ICP-MS)
• Direct current arc emission spectroscopy
• Cold vapor atomic fluorescence
• Sample preparations

Elemental Analysis by X-ray Fluorescence

• Wavelength dispersive x-ray fluorescence

Mass Spectrometry Analysis

• Thermal ionization mass spectrometry
• High precision gas mass spectrometry

Radiochemical Analysis

• Separations and sample preparation
• Alpha spectroscopy
• Gamma-ray spectroscopy
• Gas proportional counters
• Liquid scintillation counting
• Automatic gamma counters

Ion Chromatography

• Inorganic and organic cations and anions

Interstitial Gas Analysis

• C, H, O, N
• Moisture
• Tritium

Other Activities

• Nuclear forensic determination
• Radiation chemistry
• Fabrication of actinide NDA standards
• Fabrication and certification of high purity Pu metal standards
• Plutonium exchange program

A new inductively coupled plasma atomic emission spectrometer (ICP-AES) in a chemical fume hood

Chemical Diagnostics and Engineering, C-CDE

Laser-Induced Breakdown Spectroscopy (LIBS) - A readily fieldable, real-time elemental analysis method with numerous applications. LIBS includes both field-deployable and person-portable instruments for carbon measurement for terrestrial carbon sequestration programs. NASA has also selected LIBS to be the first active remote sensing diagnostic on a Mars Rover scheduled to launch in 2009. Investigations are ongoing for the use of LIBS for chemical speciation. We have received four R&D 100 Awards for LIBS instrumentation.

Energetic Neutral Atom Beam Facility - This unique source of energetic neutral atoms is used for specialized surface chemistry. The system produces neutral atoms with kinetic energy that promotes chemistry at ambient temperatures unattainable with other techniques. Applications include surface passivation and truly unusual nanoscale fabrication.

Metastable Intermolecular Composite (MIC) Materials - Nanoscale energetic materials (superthermites) with tunable energy release were discovered and developed in C-ADI and have generated considerable interest in the DoD community. The applications include “green” primer replacement in munitions, electric matches, and modifying the properties of high explosives.

Separations Using Clathrates - Clathrate inclusion compounds are useful for extracting specific gases and liquids out of other fluids at elevated pressures. Separation processes are being developed to capture carbon dioxide from shifted synthesis gas streams and flue gases for the purpose of carbon sequestration. High melting point clathrate crystals, with high-water content, are being designed for water desalination purposes. 

Transient Interferometric Microscopy - We have developed methods to detect transient surface deformations with 100-ps temporal and 1-nm displacement resolution. The technique is being applied to shock physics by an interdisciplinary and interdivisional team. It has been used to investigate the effects of crystal anisotropy and grain boundaries on shock propagation as well as the study of surface interactions with intense laser pulses, e.g., laser ablation.

Remote Sensing - In collaboration with other Los Alamos groups C-ADI is participating in remote ultra-low light imaging (RULLI). This optical imaging technique combines highly sensitive single-photon imaging with time-of-flight capability, generating high resolution, three-dimensional images.

Plume Monitoring and Physics - Particle sampling and plume imaging are applied to a variety of problems from environmental monitoring of Los Alamos hydrotests to designing bio-threat agent detection.

High Sensitivity Spectrometric Techniques - We are working on very high sensitivity spectrometric methods for analysis of chemical species from small molecules such as CO₂ to transuranics. Much of this work is centered on chemical speciation and isotopic ratios.

Analytical, Quality Assurance and Validation Services - Industrial hygiene (air, filters, swipes), radiochemical (mobile capabilities), trace elemental (mass and emission spectroscopy), methods development.

Materials Characterization - Elemental and molecular, chemical speciation, nuclear and low level radiological, forensics and attribution, aerosols.

Instrumentation Development - Analytical plasmas, DNA analysis, flow cytometry, light microscopy, vibrational spectroscopy, X-ray fluorescence, separations, and mass spectrometry.

Process Analytical Chemistry - Real-time online gas analysis, continuous particle counting and characterization, at-line solid metals analysis, online spectroscopy for chemical analysis, real-time biological and chemical detection.

Materials Analysis - Analytical services for a number of programs, including characterization and certification of nuclear and non-nuclear materials, radioactive waste treatment, and waste certification.

Materials Testing Laboratory - Cleaning methods development, document/project control and records management, war reserve materials certification and compatibility, quality assurance/quality control, plutonium substrate testing, beryllium substrate testing, QC-1 compliant, weapons manufacturing support.

Methods Development - Automated volatile and semi-volatile organics analysis, mechanical fabrication, chemical analysis automation, chemical sensor development, headspace gas sampling and analysis, safe gas-sampling and analysis from high pressure environments.

Additional group capabilities include:

• Fusion technology (primarily deuterium-tritium processing)
• Hydrogen processing
• Energy technologies
• Thermodynamic analysis
• Water science and technology
• Nanosynthesis and characterization

Inorganic, Isotope and Actinide Chemistry, C-IIAC

Radioisotope Production
We prepare and distribute unique isotopes used for medical and industrial applications. (Nuclear chemistry, target development, process chemistry, separations chemistry, molecular chemistry of radioisotopes, including QA/QC).
Contact: Jason Kitten, 505 664-0426

Actinide Chemistry
We conduct fundamental research in actinide chemistry, as well as develop new chemical processes for application in manufacturing and nuclear fuel cycles. (inorganic chemistry, analytical chemistry, and radiochemistry).
Contact: Iain May, 505 667-8643

Lanthanide Chemistry and Materials
Synthesis, characterization, reactivity, spectroscopy, and thermodynamics of f-element complexes related to catalysis and materials applications. Areas of current interest include biomass conversion and novel magnetic materials. (ligand synthesis, renewable energy, materials characterization).
Contact: Michael Janicke, 505 665-2692

Catalysis and Separation Science
Synthesis and structural characterization of heterogeneous catalysts including micro- and mesoporous materials. Design, synthesis, and characterization of ligands and organometallic complexes including structure-function modeling and data analysis of complex molecular systems. (tandem catalysis, novel reaction media, ionic liquids).
Contact: Frances Stephens, 505 665-1642

Chemistry for Energy- and Homeland Security Programs
Chemical approaches to hydrogen storage materials including regeneration methods using novel catalysts. Transition metal mediated chemistry, dihydrogen chemistry.
Contact: John Gordon, 505 665-6962

Supporting Capabilities

Chemical Analysis and Spectroscopy

• GC, GC/MS, HPLC, DSC, TGA, ICP, electrochemical analysis, optical, Raman, and IR spectroscopy
• In situ spectroscopies (IR, UV-Vis, NIR, NMR, Raman, GC/MS, IR-GC-MS)
• Powder X-ray diffraction

Molecular structure and dynamics

• Solution and solid-state multinuclear NMR spectroscopy

Chemical and materials synthesis

• Inert atmosphere techniques for handling air- and moisture-sensitive compounds
• Hydrothermal synthesis of porous materials
• Organic synthesis of ligand systems
• Solid-state synthesis of materials
• Organometallic synthesis
• Inorganic synthesis
• Novel media to support materials synthesis and catalysis (ionic liquids, CO2, etc.).

Facilities

• 100 MeV Isotope Production Facility
• Energetic reaction containment vessels
• Variety of gas-solid reaction and characterization capabilities
• Hepa-filtered Be facilities
• Low-level rad facilities (RC-1)
• Mid-level rad facilities (CMR)
• Hot Cells (RC-1, CMR, IPF)
• ‘Cold’ chemistry lab space
• Vessel Preparation Facility (DAHRT)

August 2008

Nuclear and Radiochemistry , C-NR - Fact Sheet

C-NR performs research and addresses immediate mission needs for sponsors in nuclear weapons, global security, and for those requiring the use of radioanalytical and radiochemical handling capabilities at a range of (radio) activity levels. Current major sponsors include the National Nuclear Security Administration, other federal agencies (Department of Defense, Department of Homeland Security, etc.), and LANL institutional support. Basic and applied research is conducted in support of radiochemistry and radioanalytical methods, nuclear chemistry and physics, and inorganic chemistry. The following are areas targeted for expansion:

• Analytical chemistry
• Nonproliferation and consequence management
• Nuclear physics and chemistry in support of weapons certification
• Low-level environmental analysis in support of national security missions

Key to success in these areas will be internal and external (e.g. university) interactions with collaborators that have expertise in nuclear physics and nuclear chemistry, weapons physics, radioanalytical methods, nuclear materials handling and analysis, and molecular science in support of separations chemistry. Key collaborations currently exist throughout LANL.

Facilities

C-NR has over 75 group members and offers opportunities for students and postdoctoral researchers to conduct research and gain professional experience in the fields of nuclear chemistry and radiochemistry.

The Group has facilities that are located throughout Technical Area-48 that include the following:

• Class 10,000 clean rooms
• Class 100 work areas
• Ten Mass Spectrometers
• Alpha emitter-handling glove box facilities
• HEPA-filtered fume hoods
• Inert atmosphere glove boxes
• Isotope separators
• Radiochemistry laboratories
• Extensive analytical instrumentation
• Extensive radioactive decay measurement facilities

Nuclear Weapons Performance Assessment and Data Interpretation

C-NR validates the performance of LANL-designed nuclear weapons as measured by radiochemical detectors. The group also contributes to future nuclear test readiness.

The DANCE detector, a 160 element BaF2 γ-array, is used to measure neutron capture and fission cross sections at the Lujan Center / LANSCE. Only half of the detector is shown. A parallel plate avalanche counter (PPAC), shown in the inset, is used to tag fission events for actinide targets that plug directly into the counter. In this way, fission and neutron capture events can be separated.

Radioanalytical Measurements

The Radioanalytical capability utilizes radiochemistry, mass spectrometry and counting technologies to perform routine environmental monitoring in support of treaty verification and other threat reduction missions.

Nuclear Chemistry

C-NR performs fundamental and applied research extending from the measurement of neutron-induced reaction cross sections to the trapping of radioactive atoms. Advanced studies of nuclear fission, neutron capture, nuclear isomers, along with the development of radiochemical diagnostics for inertial confined fusion are underway. Radiochemistry is used to isolate reaction products of interest or to make radioactive targets. We are also developing new technologies for the ultra-sensitive detection of actinides and other isotopes of interest for threat reduction and stockpile stewardship. We work closely with collaborators from universities, other national laboratories, and with other LANL groups.

Measurement of Radionuclides in the Environment

C-NR has methodologies and facilities for measurement of very low concentrations of radionuclides in environmental samples.

Mass Separation and Mass Spectrometry

C-NR has some of the best equipment, methodologies, and facilities for mass separations and mass spectrometry available today. We can measure very low concentrations of radiouclides and have some of the best facilities in the world for isotope ratio measurements.

In Vitro Bioassay Measurements

The Bioassay Program Team in C-NR supports the Laboratory mission by providing plutonium, americium, and tritium bioassay monitoring for radiation workers.

Radioactive Atom Trapping

C-NR has the capability to trap radioactive atoms for a wide variety of research purposes, including quantum computation.

Mission Thrust Areas within C-NR

• Nuclear and radiochemistry analysis (experimental and calculational) in support of the assessment and validation of nuclear weapons performance.
• Low-level radioanalysis of environmental and biological samples.
• The development and application of radiochemistry and radioanalytical methods.

LA-LP-09-053

September 2009

Physical Chemistry and Applied Spectroscopy, C-PCS

C-PCS focuses on research problems that require an integrated approach involving scientific, engineering, and modeling disciplines in physical chemistry and applied spectroscopy. We perform basic and applied research in support of the Laboratory’s national security mission and serve a wide range of customers including Department of Energy (DOE, Department of Defense (DoD), National Institute of Health (NIH), Intelligence, other federal agencies, and private industry. C-PCS currently consists of five teams representing the various areas of our ongoing research.

PCS Teams

• Remote Sensing Applications;
• Weapons Chemistry;
• Softmatter Nanotechnology and Advanced Spectroscopy;
• Materials Chemistry, Sensors, and Imaging; and
• Chemical Physics.

Our group’s capabilities are summarized below. These capabilities support growing programmatic needs in attribution, public health, energy, and weapons science.

C-PCS’s Remote Sensing Applications team develops remote sensing technologies that span from experimental to theoretical. We design and field new types of remote sensing instruments whose aim is to detect spectral or optical signatures of importance in proliferation detection, and apply these instruments to other defense missions such as battlefield threats and intelligence gathering. We use the latest technology in data acquisition and geographical information systems to execute field campaigns with high efficiency and enable the rapid transformation of sensor data to intelligence assessment, in some cases in near-real time. Theoretical research is aimed at the development of detection algorithms (for gas chemicals, solid materials, and others) to extract signals from high levels of background clutter, using both conventional techniques based on matched filtering and machine learning methods to improve detection under specialized conditions. We also make optimal use of chemical and physical intuition to identify new signatures for proliferation activity, which feeds back into instrument design.

Weapons Chemistry researches topics important to the safety and surety of our nation’s nuclear weapons. This team has strong programs in chemical engineering as well. Our major thrust areas include the study of energetic materials, plutonium chemistry in regards to certification processes, and chemical process development. We have put together a suite of experimental and modeling tools to predict the behavior of energetic materials, particularly in response to abnormal events such as fires. The experimental tools include fast framing cameras, temperature and pressure sensors, IR imaging and nonlinear optical imaging. These tools allow us to follow decomposition kinetics from the time scale of hours to subsonic burning on the time scale of microseconds. Results over the full dynamic range of time and temperature are used to develop models of decomposition, which can then be validated by the observations during integral thermal explosion experiments. With regards to chemical process development, we have activities ranging from bench-scale studies aimed at determining intrinsic kinetic parameters and energetics to the design and demonstration of integrated flow systems for continuous demonstration (through pilot scale). Current areas of interest include carbon dioxide capture, membrane-based separations, super-absorbent materials, and bio-fuel processing. We also have programs to develop unique inorganic biocides, materials for field-enhanced separation processes, inclusion compounds for gas capture and storage, and materials for energy applications (e.g. solar thermal and solar concentration).

C-PCS’s nanoscience efforts reside within the Softmatter Nanotechnology and Advanced Spectroscopy Team (http://quantumdot.lanl.gov), and centers on the synthesis and characterization of semiconductor and metal nanoparticles, composites and assemblies, and their application in optoelectronic devices. This world-recognized effort is fully integrated, combining extensive wet-chemical synthesis and assembly capabilities with nearly unmatched advanced spectroscopic resources, specializing in ultrafast time-resolved absorption/photoluminescence of nanomaterials under a variety of conditions and single-particle spectroscopy/imaging. Additionally, the Team houses extensive electrochemical and physical characterization tools, including particle size analysis and TEM with EDX. Finally, nanomaterials-based devices are fabricated and electronically characterized in a dedicated Class 10,000 clean room. Current research interests of the Softmatter Team include study and control of inter- and intra-nanoparticle carrier interactions, and advanced band-structure engineering through heterostructuring. Particular emphasis is placed on effects relevant to optical amplification/lasing, solid-state lighting and photovoltaic/photocatalytic applications. This work is supported by DOE and industrial funding, as well as by LDRD.

C-PCS’s Materials Chemistry, Sensors, and Imaging team works within Los Alamos’s Integrated Spectroscopy Laboratory (ISL) facility and other facilities. In all, over 6000 ft2 of laboratory space dedicated to spectroscopy instrumentation. A variety of sample handling protocols including chemical, BSL-2, and radiochemistry laboratory spaces are also featured. Flexible integration of the many capabilities in the ISL is a primary strength of this facility. In addition, this team operates within several classified spaces including a 2000 ft2 of S/NSI classified research laboratory. The optical spectroscopy instrumentation includes both steady-state and time-resolved capabilities for electronic and vibrational spectroscopies. The laboratories also house spectral microscopy capabilities which are capable of sample analysis using wavelengths spanning from x-rays to the far infrared and including Raman and SEM techniques. Materials chemistry research includes the predictive design of noble metal nanoclusters and the synthesis and analysis of biomimetic materials. Research into the basic functions of redox metalloproteins as well as the early events in protein folding are performed within this space. Sensor research includes the development of targeted cellular nanosensors, and the creation of optical waveguide based disease detection platforms. Significant efforts in sustainable energy research in hydrogen storage and cellulosic ethanol biofuel research are performed within this Team. Research sponsors include the DOE (NNSA), DOE (LDRD), NIH, Industrial and the Intelligence Community.

Chemical Physics investigates the quantum behavior of atoms, molecules, energy transfer, and reactions. The Chemical Physics team sets these traditional inquiries in a modern context. For example, one of our research programs is inspired by the fact that molecular chemistry and chemical physics are predicted to be extraordinarily different at temperatures below 1 mK. Chemistry in this ultracold regime might, paradoxically, be fast owing to slow collisions that make tunneling highly probable. Cross sections for some processes at ~100 μK could exceed room-temperature values; the extrapolation of theories that hold at 100 K to the ultracold would likely underestimate reaction cross sections by 20 orders of magnitude. Despite the outpouring of theoretical papers on the topic, ultracold molecular matter remains largely terra incognita for lack of an experimental source. In 2004, we reported that, like atoms, molecules may be laser cooled and have since identified 12 polar molecules disposed to laser cooling and have designed storage rings that can hold and collide laser-cooled ensembles of polar molecules. Research in molecule laser-cooling was begun with LDRD funding and continues with modest support from the Army Research Office. The experimental resources for this enterprise include a molecular-beam machine and seven high-resolution cw lasers (dye and diode), which are collectively capable of an output-wavelength range from 400-1100 nm. We continue to pursue funding for ultracold-molecule research, as relevant to new studies in chemical physics, collective matter, and sensor development, from LDRD and outside agencies.

Our assets and expertise in high-resolution spectroscopy are also being applied to the quantum-coherent manipulation of matter, a research segment of chemical physics but one we intersect with the disciplines of nonlinear and quantum optics. With LDRD funding begun this year, we will attempt the tailoring of an atomic vapor into a photon amplifier of unusually low noise and outstanding efficiency, meaning that nearly every incident photon will get amplified into a coherent pulse easily detected by conventional detectors and imaging arrays. Our simulations to date indicate that the photon amplifier, when treated like the “front end” of a detector system, will offer a combination of nearly unity quantum efficiency and high resolving power (of ν/Δν ∼ 107) unlike any other detector. Though presently studied with a simple atomic vapor, the approach is generally applicable to different media including solid state. We expect the program to interest those concerned with faint-light imaging and efficient photon detection, such as the remote sensing and quantum-computing/communication communities.

Spectroscopy and Imaging

• Scanning Probe Microscopies (AFM, STM) and Electron Microscopies (SEM and TEM)
• Static UV-VIS, Near-IR and IR absorption/reflection, fluorescence, phosphorescence and Raman spectroscopies
• Near-field and confocal optical microscopies
• Ultra-fast time-resolved UV-Vis, Near-IR and IR absorption and fluorescence spectroscopy
• Single molecule/nanoparticle spectroscopy
• Femtosecond near-field scanning optical microscopy
• Low temperature, high-pressure, and high-magnetic field spectroscopy
• Nonlinear optical microscopy
• Dynamic Light Scattering particle size analysis
• Optical diagnostics of interfaces
• Equation-of-state measurements at extremely high pressure or temperature

New Materials Development

• Biosensor development
• Bioimaging
• Quantum computing technologies
• Nanomaterials
• Novel electronic and optical materials
• Polyelectrolyte mulitlayered thin films
• Solar Cell characterization system

Remote Sensing

• Remote sensing for nonproliferation and homeland security
• Hyperspectral data analysis
• Aerosol detection
• Advanced sensor development
• Field tests & evaluation

Mesoscale Molecular Structures: Synthesis, Dynamics, and Applications

• Molecular building blocks
• Assembly and fabrication technologies
• Structural and dynamic diagnostic development
• Self replicating structures
• Chemical processing
• Organometallic/colloidal synthesis and assembly, including extensive inert atmosphere facilities
• Hydrothermal and tube-furnace synthesis
• Spin-coat, Langmuir-Blodgett and synthetic opal thin film assembly

Energetic Materials

• Dynamics
• Kinetic modeling
• Development and Testing
• Sensors
• Chemistry and phase behavior of energetic materials
• Shocked materials physics

Surface Science

• Actinide surface chemistry
• Catalysis
• Modeling
• Heterogeneous atmospheric chemistry

Chemical Kinetics and Thermodynamics

• Carbon management and CO₂ sequestration
• Chemical destruction technologies
• Heterogeneous atmospheric chemistry
• Actinide waste storage

Other Instrumentation and Capabilities

BSL2 Facilities, Solution X-ray Scattering, Voltammetry and Amperometry, Helium Cryostats, Glove Boxes, Fume hoods, Wet chemistry facilities for sample preparation of Uranium and (with permits) transuranics.

Class 10,000 clean room facility (installed in 2007), with:

• Wet Process Station (8 ft)
• Laminar Flow Hood (8 ft)
• Chemical Fume Hood
• Gloveboxes housing Magnetron Sputtering gun, thermal evaporator, spin coater, stereomicroscope with CCD camera, and Optical Probe Station
• Barrel Plasma cleaner
• Reactive Ion Etcher
• Nanonex Nanoimprint Lithography system
• Semiconductor Device Analyzer

December 2008

Updated 9/05 under LALP 05-096

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