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DOE OSTI2026

LDRD FY25 Program Overview

As Lawrence Livermore National Laboratory’s (LLNL’s) Laboratory Directed Research and Development (LDRD) program enters its fifth decade of leading-edge research and development, its impact and importance have never been stronger. The program continues to advance strategic investments in pioneering science, technology, and engineering, ensuring LLNL will be ready to deliver on our mission as it evolves over the coming decades. Investing in LDRD research, and the people who perform this critical work, gives LLNL the ability to sustain our role as a leader in the Department of Energy and National Nuclear Security Administration enterprise. The LDRD program enables high-risk, high-payoff research that anticipates emerging threats and future mission needs. By nurturing the ingenuity of the Lab’s greatest asset, its people, LDRD funding advances not only our research but also grows and nurtures our workforce: engaging future innovators with student mentoring, challenging postdoctoral researchers to apply their skills to support national security, and strengthening the leadership skills of early career staff. This annual report documents how LDRD investments advance LLNL’s science, technology, and engineering across our mission space. To assess LDRD’s impact we track both short and long-term metrics such as peer-reviewed publications, number of students, or professional fellows. In addition to reviewing these metrics, I encourage you to delve deeper into the breadth of science and technology that illustrate the strategic value of this research portfolio. For instance, a recent exploratory research project used advanced manufacturing to construct miniaturized three-dimensional ion traps for a quantum computer with reduced quantum error rates to enable applications that address national security missions and support basic science. Another project has delved into studying detonation by examining deflagration to enhance the safety and security of the nuclear weapons stockpile. LDRD researchers are also deploying AI agents on two of the world’s most powerful supercomputers to automate and accelerate inertial confinement fusion experiments. Other teams are delivering more accurate optical constants to enable improved validation for aluminum to advance atomic and molecular physics models. LDRD-driven discoveries of how metals deform under extreme conditions strengthen our ability to model and design materials for demanding national security environments. National security challenges are increasingly complex and continuously evolving. LDRD focuses our most innovative science and technology on these challenges, ensuring the Laboratory is developing creative, forward-leaning solutions for our nation and the world. The following pages feature highlights of published scientific advances, patents, and honors that stem from LDRD investments. As you read this report, I hope you will understand how these investments position the Laboratory, and our partners, to meet the demands of the decades ahead.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Low-energy auroral electrons

A measurement of the low-energy auroral electron flux distribution between 0.5 and 80 eV reveals structure between 0.5 and 10.0 eV. The structure is due to the thermal electron Maxwellian distribution and electron energy loss to thermal electrons, molecular nitrogen, and atomic oxygen. Some physical process in the auroral plasma causes the deduced loss function to differ from theory. Reasonable agreement is obtained between calculated and measured N2 second positive emission.

Sharp, W. E.↗
NASA NTRS1982

French activities relevant to middle atmosphere research

Interface between atomic and molecular physics and atmospheric physics; middle atmospheric research; and atmospheric exchange are discussed. Also included are proposals for research from 1982 through 1985, priorities, and available support.

Chanin, M. L.↗
NASA NTRS1987

Aviation fuel property effects on altitude relight

The major objective of this experimental program was to investigate the effects of fuel property variation on altitude relight characteristics. Four fuels with widely varying volatility properties (JP-4, Jet A, a blend of Jet A and 2040 Solvent, and Diesel 2) were tested in a five-swirl-cup-sector combustor at inlet temperatures and flows representative of windmilling conditions of turbofan engines. The effects of fuel physical properties on atomization were eliminated by using four sets of pressure-atomizing nozzles designed to give the same spray Sauter mean diameter (50 + or - 10 micron) for each fuel at the same design fuel flow. A second series of tests was run with a set of air-blast nozzles. With comparable atomization levels, fuel volatility assumes only a secondary role for first-swirl-cup lightoff and complete blowout. Full propagation first-cup blowout were independent of fuel volatility and depended only on the combustor operating conditions.

Venkataramani, K.↗
NASA NTRS1987

Vibrational and rotational analysis of the emission spectra of the arc jet flow

Applying atomic and molecular physics to the analysis of the radiation emitted from the arc jet flow provides a means for determining the species and excitation temperature of the constituents of the flow. A rotational and vibrational analysis of the spectra obtained from the radiation emitted in the shock layer and in the free stream of the jet flow was performed, specifically, in the shock layer bands of the First Negative Group of ionized molecular nitrogen and in the free stream of the gamma-system of nitric oxide.

Blount, Charles E.↗
NASA NTRS1987

Interstellar processes; Proceedings of the Symposium, Grand Teton National Park, WY, July 1-7, 1986

The conference presents papers on the Milky Way as a galaxy; observations of components of the interstellar medium; interstellar magnetic properties; interstellar processes on a galactic scale; dynamical processes in interstellar clouds; interstellar dust grains; interstellar chemical processes; and heating, cooling, and radiative processes. Attention is given to H2 in the Galaxy, hot interstellar gas in the Galactic disk and halo, interstellar magnetic fields, cloud formation and destruction, theoretical approaches to interstellar turbulence, and infrared absorption and emission characteristics of interstellar PAHs. Other topics include gas phase chemical processes in molecular clouds, the chemical evolution of galaxies, and the atomic and molecular physics of interstellar heating and cooling.

Hollenbach, David J.↗
NASA NTRS1994

Acoustic effects of sprays

Since the early 1960's, it has been known that realistic combustion models for liquid fuel rocket engines should contain at least a rudimentary treatment of atomization and spray physics. This is of particular importance in transient operations. It has long been recognized that spray characteristics and droplet vaporization physics play a fundamental role in determining the stability behavior of liquid fuel rocket motors. This paper gives an overview of work in progress on design of a numerical algorithm for practical studies of combustion instabilities in liquid rocket motors. For flexibility, the algorithm is composed of semi-independent solution modules, accounting for different physical processes. Current findings are report and future work is indicated. The main emphasis of this research is the development of an efficient treatment to interactions between acoustic fields and liquid fuel/oxidizer sprays.

Pindera, Maciej Z.↗
NASA NTRS1995

Exchange, interpretation, and database-search of ion mobility spectra supported by data format JCAMP-DX

To assist peak assignment in ion mobility spectrometry it is important to have quality reference data. The reference collection should be stored in a database system which is capable of being searched using spectral or substance information. We propose to build such a database customized for ion mobility spectra. To start off with it is important to quickly reach a critical mass of data in the collection. We wish to obtain as many spectra combined with their IMS parameters as possible. Spectra suppliers will be rewarded for their participation with access to the database. To make the data exchange between users and system administration possible, it is important to define a file format specially made for the requirements of ion mobility spectra. The format should be computer readable and flexible enough for extensive comments to be included. In this document we propose a data exchange format, and we would like you to give comments on it. For the international data exchange it is important, to have a standard data exchange format. We propose to base the definition of this format on the JCAMP-DX protocol, which was developed for the exchange of infrared spectra. This standard made by the Joint Committee on Atomic and Molecular Physical Data is of a flexible design. The aim of this paper is to adopt JCAMP-DX to the special requirements of ion mobility spectra.

Baumback, J. I.↗
NASA NTRS1995

FTP-Server for exchange, interpretation, and database-search of ion mobility spectra, literature, preprints and software

To assist current discussion in the field of ion mobility spectrometry, at the Institut fur Spectrochemie und angewandte Spektroskopie, Dortmund, start with 4th of December, 1994 work of an FTP-Server, available for all research groups at univerisities, institutes and research worker in industry. We support the exchange, interpretation, and database-search of ion mobility spectra through data format JCAMP-DS (Joint Committee on Atomic and Molecular Physical Data) as well as literature retrieval, pre-print, notice, and discussion board. We describe in general lines the entrance conditions, local addresses, and main code words. For further details, a monthly news report will be prepared for all common users. Internet email address for subscribing is included in document.

Baumbach, J. I.↗
NASA NTRS1995

Computing Interactions Of Free-Space Radiation With Matter

High Charge and Energy Transport (HZETRN) computer program computationally efficient, user-friendly package of software adressing problem of transport of, and shielding against, radiation in free space. Designed as "black box" for design engineers not concerned with physics of underlying atomic and nuclear radiation processes in free-space environment, but rather primarily interested in obtaining fast and accurate dosimetric information for design and construction of modules and devices for use in free space. Computational efficiency achieved by unique algorithm based on deterministic approach to solution of Boltzmann equation rather than computationally intensive statistical Monte Carlo method. Written in FORTRAN.

Wilson, J. W.↗
NASA NTRS2000

Spectroscopy and X-Ray Astronomy

The new x-ray astronomical observatories have sufficient spectroscopic capability to allow the determination of plasma conditions in the form of velocities, temperatures, densities, and turbulence parameters at levels that were previously unattainable. The utilization of these diagnostics are possible only if the atomic and plasma physics are well-enough understood to match the observational sensitivity.

Holt, Stephen S.↗
NASA NTRS1997

Computational Study of Electron-Molecule Collisions Related to Low-Temperature Plasmas

Computational study of electron-molecule collisions not only complements experimental measurements, but can also be used to investigate processes not readily accessible experimentally. A number of ab initio computational methods are available for these types of calculations. Here we describe a recently developed technique, the finite element Z-matrix method, Analogous to the R-matrix, method, it partitions the space into regions and employs real matrix elements. However, unlike the implementation of the R-matrix method commonly used in atomic and molecular physics, the Z-matrix method is fully variational. In the present implementation, a mixed basis of finite elements and Gaussians is used to represent the continuum electron, thus offering full flexibility without imposing fixed boundary conditions. Numerical examples include the electron-impact dissociation of N2 via the metastable A3Su+ state, a process which may be important in the lower thermosphere, and the dissociation of the CF radical, a process of interest to plasma etching. To understand the dissociation pathways, large scale quantum chemical calculations have been carried out for all target states which dissociate to the lowest five limits in the case of N2, and to the lowest two limits in the case of CF. For N2, the structural calculations clearly show the preference for predissociation if the initial state is the ground X1 Sg+ state, but direct dissociation appears to be preferable if the initial state is the A3Su+ state. Multi-configuration SCF target functions are used in the collisional calculation.

Huo, Winifred M.↗
NASA NTRS2000

Detection of explosives, nerve agents, and illicit substances by zero-energy electron attachment

The Reversal Electron Attachment Detection (READ) method, developed at JPL/Caltech, has been used to detect a variety of substances which have electron-attachment resonances at low and intermediate electron energies. In the case of zero-energy resonances, the cross section (hence attachment probability and instrument sensitivity) is mediated by the so-called s-wave phenomenon, in which the cross sections vary as the inverse of the electron velocity. Hence this is, in the limit of zero electron energy or velocity, one of the rare cases in atomic and molecular physics where one carries out detection via infinite cross sections.

vapor detection explosives electron detachment↗