##  [Materials and Analytical Spectroscopy/Spectrometry Group](/materials-analytical-spectroscopy-spectrometry-group) 

Materials Science Division

# Materials and Analytical Spectroscopy / Spectrometry Group



 







 

 

 

 

 

We are a diverse group of chemists, physicists, materials scientists, and chemical engineers who support a broad range of materials studies.

Our group broadly supports analytical materials analysis for the [Forensics Science Center (FSC)](https://forensicscience.llnl.gov/) and [Strategic Deterrence (SD)](https://sd.llnl.gov/) Programs as well as the [Materials Science Division (MSD)](https://pls.llnl.gov/research-and-development/materials-science).

We are experts in:

- Explosives analysis
- Polymer testing
- Stockpile surveillance
- Gas analysis
- Chemical analysis
- Materials and testing quality

We bring a wide range of expertise to materials analysis challenges. The group allows us to create connections, share opportunities, mentor and learn from one another, and facilitate teamwork toward our goals of materials analysis and assurance for a safer world.

The goals and applications of our research are to detect and mitigate chemical and biological threats and ensure a safe and functional nuclear deterrent. We focus on studying materials and testing to detect and model potential degradation from aging, materials interactions, or outside interference.



 



  ![Researchers in the High Explosives Analytics Laboratory.](/sites/mass/files/styles/orig/public/2024-02/about.jpg?itok=mJljUgty)

 

 Our toolkit includes:

- Advanced manufacturing
- Polymer science
- Mechanical testing
- Radiation modeling
- Degradation science
- Chemical extraction
- Mass spectrometry
- Gas and liquid chromatography
- Spectroscopy
- Surface chemistry modeling
- Materials aging and compatibility
- Quality



   

 







 

 

 

 

## In the news



 



 
  var news_data_25 = "[{&quot;nid&quot;:&quot;51366&quot;,&quot;tid&quot;:&quot;506&quot;,&quot;vid&quot;:&quot;tags&quot;,&quot;category&quot;:null,&quot;name&quot;:&quot;Nuclear and Chemical Sciences&quot;,&quot;title&quot;:&quot;Forensic Science Center to mentor Moroccan lab&quot;,&quot;source&quot;:&quot;pao&quot;,&quot;ext_link&quot;:null,&quot;pub_date&quot;:&quot;June 25, 2024&quot;,&quot;terms&quot;:&quot;526:Forensic Science Center,506:Nuclear and Chemical Sciences,881:Physical and Life Sciences,796:Top Story&quot;,&quot;alias&quot;:&quot;http:\/\/contenthub.llnl.gov\/\/article\/51366\/forensic-science-center-mentor-moroccan-lab&quot;,&quot;alias_path&quot;:&quot;\/article\/51366\/forensic-science-center-mentor-moroccan-lab&quot;,&quot;body_value&quot;:&quot;Researchers from Lawrence Livermore National Laboratory\u2019s (LLNL) Forensic Science Center (FSC) will assist a national laboratory from the North African nation of Morocco under an international program over the next year. As an Organisation for the Prohibition of Chemical Weapons (OPCW)-designated laboratory for more than two decades, LLNL will work with a Moroccan lab \u2013\u2026&quot;,&quot;body_mini_value&quot;:&quot;Researchers from Lawrence Livermore National Laboratory\u2019s (LLNL) Forensic Science Center (FSC) will assist a national laboratory from the\u2026&quot;,&quot;thumbnail_380_380&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_380_380\/public\/2024-06\/Group%20pic%20LLNL-Morocco-2024-1280px.jpg?itok=HbcsbYX6&quot;,&quot;crop_thumbnail&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_400_225\/public\/2024-06\/Group%20pic%20LLNL-Morocco-2024-1280px.jpg?itok=UhcD3kxM&quot;,&quot;scaled_1140w&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/scaled_1140w\/public\/2024-06\/Group%20pic%20LLNL-Morocco-2024-1280px.jpg?itok=3WXmVRIV&quot;,&quot;original&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/2024-06\/Group%20pic%20LLNL-Morocco-2024-1280px.jpg&quot;},{&quot;nid&quot;:&quot;50911&quot;,&quot;tid&quot;:&quot;501&quot;,&quot;vid&quot;:&quot;tags&quot;,&quot;category&quot;:null,&quot;name&quot;:&quot;Materials Science&quot;,&quot;title&quot;:&quot;Hot stuff: A new thermal pathway for a high explosive&quot;,&quot;source&quot;:&quot;pao&quot;,&quot;ext_link&quot;:null,&quot;pub_date&quot;:&quot;Feb. 28, 2024&quot;,&quot;terms&quot;:&quot;906:Defense,951:Energy,501:Materials Science,506:Nuclear and Chemical Sciences,926:Nuclear, Chem, and Isotopic S\u0026T,881:Physical and Life Sciences,836:Strategic Deterrence,796:Top Story&quot;,&quot;alias&quot;:&quot;http:\/\/contenthub.llnl.gov\/\/article\/50911\/hot-stuff-new-thermal-pathway-high-explosive&quot;,&quot;alias_path&quot;:&quot;\/article\/50911\/hot-stuff-new-thermal-pathway-high-explosive&quot;,&quot;body_value&quot;:&quot;TATB (1,3,5-triamino-2,4,6-trinitrobenzene) is an important explosive compound because of its extensive use in munitions and world-wide weapons systems. Despite its importance, researchers have been trying to understand its response to temperature extremes for the past 50 years. A Lawrence Livermore National Laboratory (LLNL) team has uncovered a new thermal decomposition\u2026&quot;,&quot;body_mini_value&quot;:&quot;TATB (1,3,5-triamino-2,4,6-trinitrobenzene) is an important explosive compound because of its extensive use in munitions and world-wide\u2026&quot;,&quot;thumbnail_380_380&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_380_380\/public\/2024-02\/HEAF_Lab_1280px.jpg?itok=1jhfj23v&quot;,&quot;crop_thumbnail&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_400_225\/public\/2024-02\/HEAF_Lab_1280px.jpg?itok=EaVGtyTX&quot;,&quot;scaled_1140w&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/scaled_1140w\/public\/2024-02\/HEAF_Lab_1280px.jpg?itok=4wCWiEod&quot;,&quot;original&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/2024-02\/HEAF_Lab_1280px.jpg&quot;},{&quot;nid&quot;:&quot;48226&quot;,&quot;tid&quot;:&quot;201&quot;,&quot;vid&quot;:&quot;tags&quot;,&quot;category&quot;:null,&quot;name&quot;:&quot;HEAF&quot;,&quot;title&quot;:&quot;Playing it safe: LLNL scientist creates energetic compounds with isotopic labels&quot;,&quot;source&quot;:&quot;pao&quot;,&quot;ext_link&quot;:&quot;https:\/\/www.llnl.gov\/archive\/news\/playing-it-safe-llnl-scientist-creates-energetic-compounds-isotopic-labels&quot;,&quot;pub_date&quot;:&quot;Nov. 30, 2021&quot;,&quot;terms&quot;:&quot;756:Advanced Materials and Manufacturing,556:Energetic Materials Center,871:Global Security,201:HEAF,501:Materials Science,881:Physical and Life Sciences,866:Science&quot;,&quot;alias&quot;:&quot;http:\/\/contenthub.llnl.gov\/\/article\/48226\/playing-it-safe-llnl-scientist-creates-energetic-compounds-isotopic-labels&quot;,&quot;alias_path&quot;:&quot;\/article\/48226\/playing-it-safe-llnl-scientist-creates-energetic-compounds-isotopic-labels&quot;,&quot;body_value&quot;:&quot;Ana Racoveanu is able to do something most others throughout the nuclear security enterprise cannot do \u2014 something challenging and extremely valuable throughout the complex. Racoveanu, a staff scientist in Lawrence Livermore National Laboratory\u2019s Materials Science Division, is able to synthesize energetic compounds with isotopic labels. The primary goal of this work is to\u2026&quot;,&quot;body_mini_value&quot;:&quot;Ana Racoveanu is able to do something most others throughout the nuclear security enterprise cannot do \u2014 something challenging and\u2026&quot;,&quot;thumbnail_380_380&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_380_380\/public\/news\/2021-11\/racoveanu_875x500px.jpg?itok=62f8Cc57&quot;,&quot;crop_thumbnail&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_400_225\/public\/news\/2021-11\/racoveanu_875x500px.jpg?itok=Ae4TzyPo&quot;,&quot;scaled_1140w&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/scaled_1140w\/public\/news\/2021-11\/racoveanu_875x500px.jpg?itok=LoNIhq05&quot;,&quot;original&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/news\/2021-11\/\/racoveanu_875x500px.jpg&quot;},{&quot;nid&quot;:&quot;50971&quot;,&quot;tid&quot;:&quot;361&quot;,&quot;vid&quot;:&quot;tags&quot;,&quot;category&quot;:null,&quot;name&quot;:&quot;Science and Technology Review&quot;,&quot;title&quot;:&quot;Polymer Production Enclave Puts Additive Manufacturing on the Fast Track&quot;,&quot;source&quot;:&quot;external&quot;,&quot;ext_link&quot;:&quot;https:\/\/str.llnl.gov\/2021-11\/maxwell&quot;,&quot;pub_date&quot;:&quot;Nov. 1, 2021&quot;,&quot;terms&quot;:&quot;501:Materials Science,881:Physical and Life Sciences,361:Science and Technology Review&quot;,&quot;alias&quot;:&quot;http:\/\/contenthub.llnl.gov\/\/article\/50971\/polymer-production-enclave-puts-additive-manufacturing-fast-track&quot;,&quot;alias_path&quot;:&quot;\/article\/50971\/polymer-production-enclave-puts-additive-manufacturing-fast-track&quot;,&quot;body_value&quot;:&quot;Since its establishment, Lawrence Livermore has played a critical role in designing components for the Nuclear Security Enterprise (NSE), and more recently, in developing additively manufactured polymer parts to replace aging weapons stockpile parts.&quot;,&quot;body_mini_value&quot;:&quot;Since its establishment, Lawrence Livermore has played a critical role in designing components for the Nuclear Security Enterprise (NSE),\u2026&quot;,&quot;thumbnail_380_380&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_380_380\/public\/2024-03\/2021-01-11_polymer-production.jpg?itok=oiAzBdOt&quot;,&quot;crop_thumbnail&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_400_225\/public\/2024-03\/2021-01-11_polymer-production.jpg?itok=WRuRFMeg&quot;,&quot;scaled_1140w&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/scaled_1140w\/public\/2024-03\/2021-01-11_polymer-production.jpg?itok=5FufZ-ag&quot;,&quot;original&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/2024-03\/2021-01-11_polymer-production.jpg&quot;},{&quot;nid&quot;:&quot;50976&quot;,&quot;tid&quot;:&quot;501&quot;,&quot;vid&quot;:&quot;tags&quot;,&quot;category&quot;:null,&quot;name&quot;:&quot;Materials Science&quot;,&quot;title&quot;:&quot;Expanding Embolization Success&quot;,&quot;source&quot;:&quot;external&quot;,&quot;ext_link&quot;:&quot;https:\/\/str.llnl.gov\/2020-07\/wilson&quot;,&quot;pub_date&quot;:&quot;July 1, 2020&quot;,&quot;terms&quot;:&quot;501:Materials Science,881:Physical and Life Sciences&quot;,&quot;alias&quot;:&quot;http:\/\/contenthub.llnl.gov\/\/article\/50976\/expanding-embolization-success&quot;,&quot;alias_path&quot;:&quot;\/article\/50976\/expanding-embolization-success&quot;,&quot;body_value&quot;:&quot;Scientists from Livermore and Texas A\u0026amp;M University along with California-based startup Shape Memory Medical, Inc., have improved upon existing technologies with the IMPEDE\u00ae embolization plug, winner of a 2019 R\u0026amp;D 100 Award.&quot;,&quot;body_mini_value&quot;:&quot;Scientists from Livermore and Texas A\u0026amp;M University along with California-based startup Shape Memory Medical, Inc., have improved upon\u2026&quot;,&quot;thumbnail_380_380&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_380_380\/public\/2024-03\/2020-07-01_impede.jpg?itok=7xnoIeMe&quot;,&quot;crop_thumbnail&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_400_225\/public\/2024-03\/2020-07-01_impede.jpg?itok=-ipnBOrZ&quot;,&quot;scaled_1140w&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/scaled_1140w\/public\/2024-03\/2020-07-01_impede.jpg?itok=9wk5hNb0&quot;,&quot;original&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/2024-03\/2020-07-01_impede.jpg&quot;},{&quot;nid&quot;:&quot;46331&quot;,&quot;tid&quot;:&quot;646&quot;,&quot;vid&quot;:&quot;tags&quot;,&quot;category&quot;:null,&quot;name&quot;:&quot;Biosecurity and Bioforensics Group&quot;,&quot;title&quot;:&quot;LLNL researchers salvage broken arrow samples&quot;,&quot;source&quot;:&quot;pao&quot;,&quot;ext_link&quot;:&quot;https:\/\/www.llnl.gov\/archive\/news\/llnl-researchers-salvage-broken-arrow-samples&quot;,&quot;pub_date&quot;:&quot;April 27, 2020&quot;,&quot;terms&quot;:&quot;761:Bioscience and Bioengineering,646:Biosecurity and Bioforensics Group,881:Physical and Life Sciences&quot;,&quot;alias&quot;:&quot;http:\/\/contenthub.llnl.gov\/\/article\/46331\/llnl-researchers-salvage-broken-arrow-samples&quot;,&quot;alias_path&quot;:&quot;\/article\/46331\/llnl-researchers-salvage-broken-arrow-samples&quot;,&quot;body_value&quot;:&quot;It was a cool spring day in May 2019. LLNL researchers Mark Hart, Matt Lyman and Salustra Urbin were combing through rusted propellers and a split Mk4 bomb case in the foothills of Manzano Mountain, just a few miles east of Kirtland Air Force Base in New Mexico. The LLNL team was exploring three different plane crashes that had occurred on the mountain, but it was the\u2026&quot;,&quot;body_mini_value&quot;:&quot;It was a cool spring day in May 2019. LLNL researchers Mark Hart, Matt Lyman and Salustra Urbin were combing through rusted propellers\u2026&quot;,&quot;thumbnail_380_380&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_380_380\/public\/news\/2020-04\/Main%2520Broken%2520Arrow.jpg?itok=Jo15WaNc&quot;,&quot;crop_thumbnail&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/thumbnail_400_225\/public\/news\/2020-04\/Main%2520Broken%2520Arrow.jpg?itok=Q61Mu5L_&quot;,&quot;scaled_1140w&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/styles\/scaled_1140w\/public\/news\/2020-04\/Main%2520Broken%2520Arrow.jpg?itok=c1JlyE_r&quot;,&quot;original&quot;:&quot;https:\/\/contenthub.llnl.gov\/sites\/contenthub\/files\/news\/2020-04\/\/Main%2520Broken%2520Arrow.jpg&quot;}]";
  var www_domain = "https://www.llnl.gov";
 

 

 





 

 

 

 

## Research areas we support



 



- <a aria-controls="tab-tabs-36-0" aria-selected="true" class="nav-link active" data-bs-target="#tab-tabs-36-0" data-bs-toggle="tab" id="tab-button-tab-tabs-36-0" role="tab" type="button"> High explosives analytics </a>
- <a aria-controls="tab-tabs-36-1" aria-selected="false" class="nav-link " data-bs-target="#tab-tabs-36-1" data-bs-toggle="tab" id="tab-button-tab-tabs-36-1" role="tab" type="button"> Forensic science </a>
- <a aria-controls="tab-tabs-36-2" aria-selected="false" class="nav-link " data-bs-target="#tab-tabs-36-2" data-bs-toggle="tab" id="tab-button-tab-tabs-36-2" role="tab" type="button"> Polymers </a>
- <a aria-controls="tab-tabs-36-3" aria-selected="false" class="nav-link " data-bs-target="#tab-tabs-36-3" data-bs-toggle="tab" id="tab-button-tab-tabs-36-3" role="tab" type="button"> Quality </a>
- <a aria-controls="tab-tabs-36-4" aria-selected="false" class="nav-link " data-bs-target="#tab-tabs-36-4" data-bs-toggle="tab" id="tab-button-tab-tabs-36-4" role="tab" type="button"> Gas analysis </a>
- <a aria-controls="tab-tabs-36-5" aria-selected="false" class="nav-link " data-bs-target="#tab-tabs-36-5" data-bs-toggle="tab" id="tab-button-tab-tabs-36-5" role="tab" type="button"> Stockpile systems </a>
 
### High explosives analytics

 ![TATB degradation under heat treatment.](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-02/high-explosives-analytics.jpg?itok=JiKR__ME "High explosives analytics")

Degradation of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) with a heat treatment to artificially age the material. (Degradation is exaggerated.)

Since 2010, the High Explosives Analytics Laboratory (HE Lab) has employed a dedicated staff of scientists performing traditional and non-traditional analytical techniques using highly advanced instrumentation. The HE Lab supports the development and testing of energetic materials including:

- Small-scale synthesis research and development
- Scale-up production
- Accelerated aging, compatibility, and performance
- Certification and production

The inherent hazards of energetic materials require specialized facilities, personnel, and preparation procedures for analyses. The work scope and volume of samples (thousand per year) is expanding in areas related to research and development, performance, and certification/production.

We focus primarily on the trace level compounds within explosives as key indicators of chemical change. We continue to develop new sample preparation and analysis techniques to probe ever deeper into the chemical makeup of our samples.

Our techniques include:

- High-performance liquid chromatography
- Gas chromatography mass spectrometry, both liquid injection and thermal inlet
- Liquid chromatography mass spectrometry (high resolution and triple quadrupole)
- Ion chromatography
- Size-exclusion chromatography
- Karl-Fischer titrations
- Supercritical fluid chromatography

 

 

### Forensic science

 ![Researcher working in the Forensic Science Center.](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-02/forensic-science.jpg?itok=pXEbe1Vy "Forensic science")

LLNL’s [Forensic Science Center (FSC)](https://forensicscience.llnl.gov/) is home to nationally recognized scientists and capabilities that support chemical, explosive, nuclear, and biological counterterrorism. The FSC delivers critical assessments and technologies to homeland security and intelligence communities, law enforcement, and health professionals. With international certification in handling and analysis of chemical warfare agents, explosives, and radionuclear materials, we collaborate with agencies responsible for monitoring and verifying compliance with international treaties.

Researchers supporting the FSC are experts in five thrust areas:

- Organic, inorganic, analytical, and nuclear chemistry
- Biological sample analysis
- Medical countermeasures
- Microfluidics
- Development of new forensic detection equipment.

FSC scientists routinely detect evidence of toxic chemicals at ultra-trace levels using state-of the-art analytical instrumentation. The FSC houses one of the most extensive collections of analytical instrumentation at LLNL, including:

- Gas, liquid, and ion chromatographs coupled with a wide variety of mass spectrometers
- Nuclear magnetic resonance
- Infrared and Raman spectrometers

With leading-edge capabilities, the FSC exploits emerging technologies to increase our understanding of trace compounds of interest and their interaction with complex environmental and biological samples.

 

 

### Polymers

 ![Illustration showing a concept for shape-memory-polymer foams to be used to treat an aneurysm.](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-02/polymers.jpg?itok=JURtNb5j "Polymers")

A conceptual intravascular device for treating an aneurysm using shape-memory-polymer foam. (left) Compressed shape-memory-polymer foams are delivered by catheter to an aneurysm sac within the brain. (right) Once it is activated by temperature change, the foam expands to match the sac’s contours.

Our researchers provide expertise in the design, development, characterization, and processing of polymeric materials to support polymer component and device applications across multiple programs. To support this work, we have extensive experience in polymer structure/property/applications relationships and leverage other onsite expertise or external collaborators.

Some of our research and development capabilities in this area include:

- Development of new materials for defense applications based on siloxane, urethane, and polyolefin polymers and processed via advanced manufacturing processes.
- Design, development, and characterization of shape memory polyurethanes and devices including therapeutic intravascular devices and implants.
- Characterization of thermomechanical properties of feedstocks and finished components via compression/tension mechanical testing, dynamic mechanical analysis, rheology, differential scanning calorimetry, and thermogravimetric analysis.
- Thermally accelerated aging studies for component lifetime assessment, including long-term prediction of mechanical function.

 

 

### Quality

 ![Researcher checking a vial in a laboratory.](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-02/quality.jpg?itok=OUig7R2m "Quality")

The International Organization for Standardization (ISO) determines standards for technology, industry, and other sectors. Laboratory testing and calibration requirements, known as ISO-17025, define competency benchmarks for quality assurance and quality control procedures. To achieve accreditation, laboratories must establish and follow a quality management system and consistently produce valid test results. Adhering to these standards not only increases operational effectiveness and efficiency, but also strengthens LLNL’s credibility in the areas where the highest standard of measurement traceability and rigor is requested.

As an example, the Forensic Science Center (FSC) has achieved ISO-17025 accreditation since 2003, allowing us to be among the 26 laboratories worldwide to support the mission of Organisation for the Prohibition of Chemical Weapons (OPCW). The same accreditation also enables the FSC to support various investigatory agencies in conducting internationally recognized chemical, explosive, and nuclear analyses.

In addition to the FSC, the ISO-17025 quality standard is also essential to all LLNL’s critical Measurement and Test Equipment (M&amp;TE) to produce scientific results with quantifiable uncertainties for the day-to-day decision making that are consequential to ensure safety, improve performance, and limit unintended financial cost for the mission.

Our group has the unique knowledge and skills to support the growing demand for ISO-17025 quality management expertise within LLNL.

 

 

### Gas analysis

 ![Researcher at a computer analyzing sample results.](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-02/gas-lab.jpg?itok=JF3cALaH "Gas analysis")

LLNL’s gas lab employs experts in material outgassing and gas acquisition experimental design, gas sampling, and advanced analytical instrumentation used to take and measure gas samples. Our group supports a variety of missions across LLNL, from building gas carts, material aging and compatibility experiments, simple and complex gas sampling, and analyzing materials aging experiments.

We analyze a wide variety of samples taken at the High Explosives Application Facility (HEAF), as part of stockpile surveillance activities, cross-site collaboration experiments, and one-off “What is this?” samples. This results in our gas lab managing 100s of aging experiments a year and analyzing 1000s of samples per year, a workload that continues to increase.

We specialize in the analysis of headspace gas samples; samples taken from sealed experiments/vessels that can indicate whether there is age related breakdown of a material or a chemical incompatibility within a group of materials.

Our instrumentation includes:

- Cryo-gas chromatography/mass spectrometry
- Magnetic sector mass spectrometry
- Selected-ion flow-tube mass spectrometry

 

 

### Stockpile systems

 ![Researchers at the High Explosives Applications Facility.](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-02/stockpile-systems.jpg?itok=kKuKJ61c "Stockpile systems")

Our group offers comprehensive expertise in materials and component testing, aging, compatibility, and data analytics for LLNL’s stockpile systems. We serve as subject matter experts (SMEs) embedded within the Strategic Deterrence Directorate’s Stockpile Surveillance Group, providing scientific and technical oversight of yearly surveillance activities and data interpretation.

Our SMEs:

- Work closely with their component engineers and the production agencies to ensure that surveillance testing is performed to requirements.
- Work with the stockpile systems groups to ensure they understand the surveillance data.
- Serve as materials and component experts for anomaly investigations.
- Develop requirements and qualification testing for the modernization programs.

Many group members are actively involved in developing the next generation of surveillance diagnostics and serve as a valuable resource for all stockpile systems personnel, routinely providing their expertise for qualification activities, engineering evaluations, or expert peer reviews.

 

 

 

 

 







 

 

 

 

## Our team



 





 

 

 

 

 

### Leadership



 



 [![Adams, Kristl](https://people.llnl.gov/sites/default/files/img/adams82_0.png)](https://people.llnl.gov/adams82) [Kristl Adams](https://people.llnl.gov/adams82) 

Group Leader - MASS; Program Manager - NEA; Physicist

 

 

 

 [![Coffee, Keith R.](https://people.llnl.gov/sites/default/files/img/coffee3.png)](https://people.llnl.gov/coffee3) [Keith Coffee](https://people.llnl.gov/coffee3) 

HE Analytical Lab Lead; Staff Scientist

 

 

 

 [![Ottaway, Josh](https://people.llnl.gov/sites/default/files/img/ottaway2_1.png)](https://people.llnl.gov/ottaway2) [Josh Ottaway](https://people.llnl.gov/ottaway2) 

Staff Scientist

 

 

 

 

 







 

 

 

 

 

### Group members



 



 [![Allen, Patrick G.](https://people.llnl.gov/sites/default/files/img/allen42.png)](https://people.llnl.gov/allen42) [Patrick G. Allen](https://people.llnl.gov/allen42) 

Materials Program Leader

 

 

 

 [![Chen, Derek Chihyuan](https://people.llnl.gov/sites/default/files/img/chen138.png)](https://people.llnl.gov/chen138) [Derek Chihyuan Chen](https://people.llnl.gov/chen138) 

Quality Manager

 

 

 

 ![Dinh, Long Ngoc](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW) Long Dinh 



 

 

 

 [![Donald, Scott Bradshaw](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW)](https://people.llnl.gov/donald3) [Scott Donald](https://people.llnl.gov/donald3) 

Staff Scientist

 

 

 

 ![Dreyer, Mark](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW) Mark Dreyer 



 

 

 

 ![Durflinger, Joshua Luke](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW) Joshua Durflinger 



 

 

 

 ![Jowe, Eryn Melissa](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW) Eryn Jowe 



 

 

 

 [![Klunder, Greg](https://people.llnl.gov/sites/default/files/img/klunder1.png)](https://people.llnl.gov/klunder1) [Greg Klunder](https://people.llnl.gov/klunder1) 

Analytical Chemist, Staff Scientist

 

 

 

 [![Loui, Albert](https://people.llnl.gov/sites/default/files/img/loui2_0.png)](https://people.llnl.gov/loui2) [Albert Loui](https://people.llnl.gov/loui2) 

Staff Scientist

 

 

 

 ![Mulcahy, Heather A.](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW) Heather Mulcahy 



 

 

 

 ![Overturf, George E.](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW) George Overturf 



 

 

 

 [![Panasci-Nott, Adele Frances](https://people.llnl.gov/sites/default/files/img/panascinott1.png)](https://people.llnl.gov/panascinott1) [Adele Panasci-Nott](https://people.llnl.gov/panascinott1) 

Analytical Chemist, Staff Scientist

 

 

 

 ![Saab, Andrew](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW) Andrew Saab 



 

 

 

 ![Selinsky, John](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW) John Selinsky 



 

 

 

 ![Shaffer, Steven Thomas](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW) Steven Shaffer 



 

 

 

 [![Shroyer, Elizabeth Marie](https://mass.llnl.gov/sites/mass/files/styles/orig/public/2024-01/people-placeholder-msd.jpg?itok=P1K4eoTW)](https://people.llnl.gov/shroyer2) [Elizabeth Shroyer](https://people.llnl.gov/shroyer2) 

Staff Scientist

 

 

 

 [![Small, Ward](https://people.llnl.gov/sites/default/files/img/small3.png)](https://people.llnl.gov/small3) [Ward Small](https://people.llnl.gov/small3) 

Research Scientist

 

 

 

 ![Vu, Alex](https://people.llnl.gov/sites/default/files/img/vu4.png) Alex Vu 



 

 

 

 ![Wilson, Thomas S.](https://people.llnl.gov/sites/default/files/img/wilson97.png) Thomas Wilson 



 

 

 

 

 







 

 

 

 

 

## Our publications



 



###   2025 

[Anomalous softening of 3D printed elastomeric foam irradiated under compressive strain](https://doi.org/10.1038/s41598-025-15703-4)  
*Scientific Reports,* 2025  
A. Maiti, W. Small, T.Y. Olson, M.A. Worthington, S.L. Mabery, A.P. Saab, J.P. Lewicki

[Properties of different LLM-105 preparations](https://doi.org/10.1080/07370652.2025.2529163)  
*Journal of Energetic Materials,* 2025  
A.E. Gash, N.F. Anderson, J.L. Montgomery, P.C. Hsu, K.R. Coffee, G.J. Guillen, P.A. Hernandez, S.M. Clarke, F. Zaka, J.G. Reynolds

[Classification and Peroxide Value Prediction of Naturally Aged Edible Oils Using Raman and Infrared Spectral Analysis](https://doi.org/10.1177/27551857251340426)  
*Applied Spectroscopy Practica,* 2025  
W.E. Gilbraith, J.C. Carter, K. Adams, I. Sota-Uba, B.K. Lavine, K.S. Booksh, J.M. Ottaway

[Understanding Viscoelasticity of an Entangled Silicone Copolymer via Coarse-Grained Molecular Dynamics Simulations](https://doi.org/10.1021/acs.macromol.5c01192)  
*Macromolecules,* 2025  
W. Xian, A. Maiti, A.P. Saab, Y. Li

[Determination of Synthetic Opioids Belonging to the Fentanyl Class in Silt Using Electron Ionization GasChromatography-Mass Spectrometry (GC-MS)](https://doi.org/10.1080/00032719.2024.2419977)  
*Analytical Letters,* 2024  
C.A. Valdez, D.C. Kaseman, D.S. Cho, S. Hok, A.K. Vu



 

 

 



###   2024 

[Segmentation of RDX and TNT in X-Ray Computed Tomography Reconstructions of Melt-Cast Explosives](https://doi.org/10.1002/prep.202400065)  
*Propellants, Explosives, Pyrotechnics,* 2024  
B.M. Rogers, A.J. Hardy, K.R. Coffee, F. Zaka, J.D. Sain, S.S. Karimi, F.J. Gagliardi, J.A. Browne, J.W. Tringe

[TATB thermal decomposition: Expanding the molecular profile with cryo-focused pyrolysis GC-MS](https://doi.org/10.1002/prep.202300268)  
*Propellants, Explosives, Pyrotechnics,* 2024  
K.D. Morrison, J.S. Moore, K.R. Coffee, B. Koroglu, A.K. Burnham, J.G. Reynolds

[Understanding TATB (1,3,5-triamino-2,4,6-trinitrobenzene) thermal decomposition](https://doi.org/10.1002/prep.202400014)  
*Propellants, Explosives, Pyrotechnics,* 2024  
J.S. Moore, K.D. Morrison, A.K. Burnham, A. Racoveanu, J.G. Reynolds, B. Koroglu, K.R. Coffee

[Development of a coarse-grained molecular dynamics model for poly(dimethyl-co-diphenyl)siloxane](https://doi.org/10.1039/D4SM00875H)  
*Soft Matter,* 2024  
W. Xian, A. Maiti, A.P. Saab, Y. Li

[Filled Elastomers: Mechanistic and Physics-Driven Modeling and Applications as Smart Materials](https://doi.org/10.3390/polym16101387)  
*Polymers,* 2024  
W. Xian, Y.-S. Zhan, A. Maiti, A.P. Saab, Y. Li

[Use of carbonyldiimidazole as a derivatization agent for the detection of pinacolyl alcohol, a forensic marker for Soman, by EI-GC–MS and LC-HRMS in official OPCW proficiency test matrices](https://doi.org/10.1111/1556-4029.15527)  
*Journal of Forensic Sciences,* 2024  
C.A. Valdez, D.C. Kaseman, M.L. Dreyer, S. Hok, A.K. Vu

[Determination of N,N-Dialkylethanolamines Related to Chemical Warfare Agents as Benzylated Species in an OPCW Proficiency Test Soil Sample by Electron Ionization Gas Chromatography-Mass Spectrometry](https://doi.org/10.1080/00032719.2024.2310630)  
*Analytical Letters,* 2024  
C.A. Valdez, S. Hok, D.S. Cho, A.K. Vu

[Assessment of two benzylation strategies for the analysis of nerve-agent derived ethyl- and pinacolyl methyl phosphonic acids in sandy loam soil by GC–MS](https://doi.org/10.1016/j.forc.2024.100616)  
*Forensic Chemistry,* 2024  
V.A. Gokool, A.K. Vu, S. Hok, C.A. Valdez

[Determining the Outgassing Kinetics of a Cryo-Milled Polymer Using Temperature-Programmed Desorption SIFT-MS](https://doi.org/10.1021/acsestair.4c00081)  
*ACS ES&amp;T,* 2024  
B.M. Gordon, J. Iyer, K.L. Baron, T.M. Bryson, C.A. Harvey, D.A. Mew, S.C. Chinn, S.A. Carroll, S.A. Hawks

[Isotopic substitution in TATB facilitates understanding of structural features and thermal decomposition](https://doi.org/10.1063/12.0032377)  
*AIP Conference Proceedings,* 2024  
J.G. Reynolds, A. Racoveanu, A.K. Burnham, J.S. Moore, K.R. Coffee, A.F. Panasci-Nott, K.D. Morrison, B. Koroglu, G.L. Klunder, C.A. Colla, J.R.I. Lee, H.E. Mason, J.D. Van Horn, E.M. Kahl



 

 

 



###   2023 

[Analysis of degradation products in thermally treated TATB](https://doi.org/10.1002/prep.202300176)  
*Propellants, Explosives, Pyrotechnics,* 2023  
K.R. Coffee, A.F. Panasci-Nott, J.A. Olivas, J. Selinsky, K.D. Morrison, A.K. Burnham, G.L. Klunder, J.G. Reynolds

[Syntheses and characterization of isotopically labeled 1,3,5-triamino-2,4,6-trinitrobenzene (TATB)](https://doi.org/10.1002/prep.202300185)  
*Propellants, Explosives, Pyrotechnics,* 2023  
A. Racoveanu, K.R. Coffee, A.F. Panasci-Nott, B. Koroglu, C.A. Colla, J.R.I. Lee, K.D. Morrison, J.G. Reynolds

[TATB thermal decomposition: An improved kinetic model for explosive safety analysis](https://doi.org/10.1002/prep.202300237)  
*Propellants, Explosives, Pyrotechnics,* 2023  
J.S. Moore, K.D. Morrison, A.K. Burnham, A. Racoveanu, J.G. Reynolds, B. Koroglu, K.R. Coffee, G.L. Klunder

[Compressive properties of silicone Bouligand structures](https://doi.org/10.1557/s43577-022-00398-z)  
*MRS Bulletin,* 2023  
I.M. Van Meerbeek, J.M. Lenhardt, W. Small, T.M. Bryson, E.B. Duoss, T.H. Weisgraber

[New Thermal Decomposition Pathway for TATB](https://doi.org/10.21203/rs.3.rs-3299268/v1)  
*Preprint,* 2023  
K.D. Morrison, A. Racoveanu, J.S. Moore, A.K. Burnham, B. Koroglu, K.R. Coffee, A.F. Panasci-Nott, G.L. Klunder, B.A. Steele, M.A. McClelland, J.G. Reynolds

[Towards a heat- and mass-balanced kinetic model of TATB decomposition](https://doi.org/10.1002/prep.202300121)  
*Propellants, Explosives, Pyrotechnics,* 2023  
A.K. Burnham, K.R. Coffee, G.L. Klunder, A.F. Panasci-Nott, J.G. Reynolds



 

 

 



###   2022 

[Hydriding of titanium: Recent trends and perspectives in advanced characterization and multiscale modeling](https://doi.org/10.1016/j.cossms.2022.101020)  
*Current Opinion in Solid State and Materials Science,* 2022  
Y. Zhu, T.W. Heo, J.N. Rodriguez, P.K. Weber, R. Shi, B.J. Baer, F.F. Morgado, S. Antonov, K.E. Kweon, E.B. Watkins, D.J. Savage, J.E. Chapman, N.D. Keilbart, Y. Song, Q. Zhen, B. Gault, S.C. Vogel, S.T. Sen-Britain, M.G. Shalloo, C. Orme, M. Bagge-Hansen, C. Hahn, T.A. Pham, D.D. Macdonald, S.R. Qiu, B.C. Wood

[Probing the Structural Effects of Hydrogen Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB): Experimental Evidence by 15N NMR Spectroscopy](https://doi.org/10.1021/acs.jpcc.2c03405)  
*J. Phys. Chem. C,* 2022  
H.E. Mason, C.A. Colla, A. Racoveanu, K.R. Coffee, A.F. Panasci-Nott, E.M. Kahl, and J.G. Reynolds

[Standoff Detection of Oil and Powder Mixtures at 12 Meters Using a Tunable Quantum Cascade Laser-Based System with a Close Focus Telescope and Uncooled Infrared Detector](https://doi.org/10.1177/00037028211060389)  
*Applied Spectroscopy,* 2022  
J.C Carter, P.H. Paul, J.M. Ottaway, P. Haugen, A.M. Manuel

[Trace Compound Analysis in TATB by Liquid Chromatography coupled with Spectroscopic and Spectrometric Detection](https://doi.org/10.1002/prep.202100224)  
*Propellants, Explosives, Pyrotechnics,* 2022  
K.R. Coffee, A.F. Panasci-Nott, B.J. Stewart, J.A. Olivas, A.M. Williams, J.G. Reynolds



 

 

 



###   2021 

[Comparison of Spectroscopic Techniques for Determining the Peroxide Value of 19 Classes of Naturally Aged, Plant-Based Edible Oils](https://doi.org/10.1177/0003702821994500)  
*Applied Spectroscopy,* 2021  
J.M. Ottaway, J.C. Carter, K.L. Adams, J. Camancho, B.K. Lavine, K.S. Booksh

[Constitutive Model of Radiation Aging Effects in Filled Silicone Elastomers under Strain](https://doi.org/10.1021/acs.jpcb.1c04958)  
*J. Phys. Chem. B,* 2021  
A. Maiti, W. Small, M. P. Kroonblawd, J. P. Lewicki, N. Goldman, T. S. Wilson, and A. P. Saab

[Improving Prediction of Peroxide Value of Edible Oils Using Regularized Regression Models](https://doi.org/10.3390/molecules26237281)  
*Molecules,* 2021  
W.E. Gilbraith, J.C. Carter, K.L. Adams, K.S. Booksh, J.M. Ottaway

[Uranium hydride corrosion. I New insights into the Condon-Kirkpatrick model of uranium hydride formation rate](https://doi.org/10.1016/j.corsci.2021.109710)  
*Corrosion Science,* 2021  
A. Loui, N. Gharibyan, W. McLean

[Uranium hydride corrosion. II Modeling spatially random growth using reaction and nucleation kinetics](https://doi.org/10.1016/j.corsci.2021.109732)  
*Corrosion Science,* 2021  
A. Loui, N. Gharibyan, W. McLean



 

 

 



###   Prior 

[Age-aware constitutive materials model for a 3D printed polymeric foam](https://doi.org/10.1038/s41598-019-52298-z)  
*Scientific Reports,* 2019  
A. Maiti, W. Small, J.P. Lewicki, S.C. Chinn, T.S. Wilson, A.P Saab

[Moisture outgassing from siloxane elastomers containing surface-treated-silica fillers](https://doi.org/10.1038/s41529-019-0083-4)  
*npj Materials Degradation,* 2019  
H.N. Sharma, J.M. Lenhardt, A. Loui, P.G. Allen, W. McLean, R.S. Maxwell, L.N. Dinh