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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

INFLUENCE OF SUPPLEMENTARY ARGON GAS SHIELDING ON THE MICROSTRUCTURE AND MECHANICAL BEHAVIOR OF SS316L ADDITIVELY MANUFACTURED BY DIRECTED ENERGY DEPOSITION

The dissolution of atmospheric gases into parts additively manufactured by directed energy deposition (DED) has long been of concern, and stock shielding solutions have usually proven inadequate at fully removing atmospheric gases from weld beads. The objective of this work was to design a new supplementary argon gas shroud for a specific DED printer and evaluate its effect on microstructure and macroscopic properties of SS316L and the potential for printing more reactive metals such as Ti-6Al-4V. This was investigated by printing four SS316L sample blocks, two with and two without the shroud, each printed in two different orientations. These samples were subsequently evaluated with inert gas fusion (IGF), SEM/EDS imaging, and tensile tests. The shroud reduced oxygen content by 0.019-0.031%, and SEM imaging revealed fewer oxide inclusions. A more dramatic reduction of 0.13% oxygen and 0.171% nitrogen was observed by the inert gas fusion of Ti-6Al-4V samples. Overall, the results indicated the shroud was successful at reducing atmospheric gas uptake within the print region and may enable the printing of reactive metal powders in DED systems.

Helvie, Kyle↗
DOE OSTI2025

Discovery, Design, Synthesis and Testing of High Performance Structural Alloys (Final Technical Report)

The overarching goal of this project is to understand the phase stability and mechanical behavior of non-stoichiometric multi-principal element alloy (MPEA) materials. In order to identify suitable alloys, we plan to use a combinatorial thin film screening approach, in collaboration with scientists at Lawrence Berkeley National Laboratory who are performing computational work as well as complementary experimental work. Specific tasks within the scope of this project include the fabrication, using thin film deposition from six sputtering targets, of combinatorial samples with multi-dimensional gradients in composition and microstructure. These samples are studied to screen MPEA systems for promising candidate alloys with specific composition(s), based on characterization of composition, structure and mechanical behavior across the thin film. We want to produce single-phase MPEAs with chemical homogeneity in a given thin film region, simple grain structures, and no intermetallic phases present. Gradient films facilitate first-pass screening for desirable characteristics and inform the next stage of work that involves fabrication of bulk MPEA specimens for (tensile) mechanical testing and characterization. To make the bulk alloys, metal (elemental) pieces are melted to form MPEAs, followed by heat treatment to homogenize the composition and microstructure. A subset of alloys is also cast, using vacuum arc melting, to yield larger samples (diameter ~1 cm and length ~5-10 cm) and these allow us to assess viability of scale-up for the alloys in structural applications. Further processing plans include rolling and heat treatment to recrystallize selected bulk MPEAs and grow grains to different extents, in order to investigate size effects in the mechanical behavior of MPEAs. Microspecimen testing will be performed (primarily in tension) to assess the mechanical behavior over a range of temperatures. The deformation microstructure of mechanically tested alloys will be characterized using transmission electron microscopy (TEM) to provide a scientific basis for understanding the structure-property relationships in MPEA mechanical behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Coupled Thermo-Hydrological-Mechanical-Chemical Behavior of Anisotropic Granite for Geologic Disposal of High-Level Radioactive Waste: A Core-Scale Laboratory Investigation

The coupled thermo-hydrological-mechanical-chemical (THMC) behavior of rock within an Excavation Damaged Zone (EDZ) is critical for the safety and long-term performance of a geological repository for high-level radioactive wastes. While many laboratory experiments have been conducted to investigate EDZ rocks, the flow and deformation characteristics resulting from anisotropic rock textures and microcrack distribution under triaxial loading and elevated temperatures remain poorly understood. Particularly, cracks at various scales serve as fast paths for fluid flow and solute transport and present as focal points of mechanical weakness, which complicate the coupled THMC processes in anisotropic EDZ rocks and challenge modeling predictions. Here, in this study, a series of core-scale experiments was conducted on three granite samples under repository-relevant conditions. These rock samples were obtained from the Grimsel Underground Research Laboratory (URL), featured by anisotropic minerals (represented by bedding layers) and microcrack distributions and coarse cm-scale grain sizes. During the experiments, samples were subjected to an elevated temperature at 90 °C and different triaxial loading conditions either by radial (normal to bedding layers) or axial (parallel to bedding layers) compaction. Water was injected into the samples, and the rock permeability evolutions and effluent water chemistry were monitored closely. For intact samples, thermal expansion of minerals at 90 °C resulted in a large, 75% irreversible permeability reduction and rock strengthening under radial compaction, while thermal impact was limited to a 15% permeability reduction under axial compaction. In contrast, for a sample containing open cracks, the growth of fractures during the experiment resulted in an abrupt permeability increase and fast failure at 90 °C. The effluent water chemistry indicates much more considerable mineral dissolution from large shear sliding than that in rocks dominated by mechanical compaction. These results helped better understand the coupled THMC processes in anisotropic rocks containing cracks, evaluate the behaviors of EDZ rocks, and predict the long-term evolution of EDZ for the performance of the repositories.

Coupled THMC processes↗
DOE OSTI2024

International fuel performance study of fresh fuel experiments for PCMI effects during RIA experiments

This paper presents the results of High-burnup Experiments for Reactivity-initiated Accident (HERA) Modeling & Simulation (M&S) exercise. The HERA project under the Nuclear Energy Agency (NEA) Second Framework for Irradiation Experiments (FIDES-II) program is focused on studying Light Water Reactor (LWR) fuel behavior during Reactivity-Initiated Accident (RIA) conditions. The Part I M&S cases are based on a series of tests in the Transient Reactor Test (TREAT) facility in the United States and the Nuclear Safety Research Reactor (NSRR) in Japan. The purpose of this work is to evaluate the test design to accomplish its goals in establishing clearer understanding of the effects of power pulse width during RIA conditions. Further, the blind predictions using various computational tools have been performed and compared amongst to interpret the behaviors of high burnup fuels during RIA. While many international participants evaluate the thermal–mechanical behavior of fuel rod under different conditions, a considerable scatter of outputs comes out for the cases due to the disparity between codes in predicting mechanical behaviors. In general, however, the results of thermal–mechanical analysis elaborate that nominal design conditions the shorter pulse width tests in NSRR should cause cladding failures while the TREAT tests appear to have more split prediction of failure or not. Furthermore, the sensitivity analysis varying key testing parameters reveals the considerable effect of power pulse width and total energy deposition on prediction of fuel rod failure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Reversible Polymer–Metal Mechanical Transitions Enabled by Electrochemical Modulation

The mechanical properties of materials, e.g., elastic modulus and hardness, are important for many engineering applications. Here, we introduce a hierarchically ordered structure (HOS) polymer system that exhibits exceptionally large, reversible changes in mechanical behavior upon electrochemical lithiation and delithiation. Full lithiation of the HOS polymer induces a substantial mechanical transition from polymer-like to metal-like attributes, yielding a 10-fold increase in elastic modulus and a 3-fold increase in hardness, with values comparable to those of aluminum. Upon removal of Li+ ions, the elastic modulus and hardness return to nearly pristine polymer levels, and this transformation remains highly repeatable over many electrochemical cycles. Reversible transitions between polymer-like and metal-like mechanical behaviors offer a new pathway for engineering materials for applications that require tunable mechanical properties, such as soft robotics and stimuli-responsive systems.

Thapa, Santosh↗
DOE OSTI2026

Process control-enabled mitigation of microstructural and plastic heterogeneities in additively manufactured Grade 91 steel

Synergizing wire arc-directed energy deposition (WA-DED) additive manufacturing (AM) with particle-strengthened creep strength-enhanced ferritic (CSEF) steels enables fabrication and repair of critical power-plant components. Investigations focused on fusion-welded particle-strengthened CSEF steels, such as Grade 91 steel, have linked microstructurally heterogeneous regions—forming due to heat affected zones (HAZ)—with premature failure during elevated temperature service. Fusion-based AM, including WA-DED, likewise generates microstructurally and plastically heterogeneous regions due to spatiotemporally varying thermokinetics during deposition. However, works investigating such microstructural heterogeneities, their implications for mechanical behavior, and strategies to mitigate their formation remain scarce. This work identifies microstructurally and plastically heterogeneous regions within the WA-DED-processed Grade 91 steel. Spatial microhardness variations in the as-fabricated specimen correlate with the variation in the attributes of grain, martensitic microstructure, and precipitates across the fusion zone and HAZ. Digital image correlation-enabled tensile tests performed at 500 °C revealed pronounced deformation localization and a wave-like strain distribution, with wavelength close to the melt pool depth, indicating susceptibility of the as-fabricated components to premature creep failure. Such heterogeneity in microstructural and mechanical behavior was attributed to recurring solid-state phase transformations. Subsequently, an interlayer temperature control strategy was implemented, wherein maintaining interlayer temperature above the martensitic start temperature mitigated the heterogeneous microstructural and plastic response in the as-fabricated condition. Findings open pathways to achieving deformation-localization- and creep-resistant microstructures in WA-DED fabricated particle-strengthened CSEF steel components, reducing reliance on post-welding heat treatments—conventionally required to enhance creep resistance—and enabling on-demand, short lead-time fabrication of next-generation power-plant components.

Heat affected zones↗
DOE OSTI2024

Chemo-Mechanical Instabilities in Lithium Cobalt Oxide at Higher State-Of-Charge in Li-Ion Batteries

Transition metal oxide cathodes are widely used in commercial Li-ion batteries. However, their practical charge capacity is limited due to severe chemo-mechanical instabilities at higher charge voltage, and state-of-charge condition. Here, in situ stress and strain measurements were synchronized to probe mechanical deformations in the lithium cobalt oxide (LCO) cathode via a multi-beam stress sensor and digital image correlation, respectively. In situ mechanical measurements revealed how Li removal from the electrode structure induces deformations on the LCO composite cathodes during cycling. The structure and morphology of the LCO cathodes were further investigated by X-ray diffraction (XRD) and scanning electron microscopy (SEM) studies. Two distinct electrochemical and mechanical behaviors were identified when the LCO was charged up to 4.65 V. The LCO undergoes a compressive stress generation when charged up to 4.2 V and surface fractures on the LCO particles were detected by SEM. LCO cathode experienced significantly large contractions (negative strains) when charged up to 4.65 V, where intergranular crack formation and phase transformation were detected on the LCO particles via SEM and XRD, respectively. Overall, the study bridges complicated structural deformations with in situ analysis of mechanical degradations in LCO cathodes charged at higher voltages. The correlation is vital to understanding instability mechanisms in transition metal oxides at high voltages for alkali metal ion batteries.

higher state-of-charge↗
DOE OSTI2025

Towards a multiscale approach for understanding irradiation induced swelling and creep in 316 stainless steels - A coupled cluster dynamics and crystal plasticity approach

Structural materials undergo mechanical degradation, in part due to irradiation-induced swelling and creep, under nuclear reactor conditions. While swelling results from the migration and clustering of irradiation-induced atomic-scale mobile defects, the interaction of mesoscale dislocations with these defects causes creep deformation. A coupled crystal plasticity (CP) and mean-field cluster dynamics (CD) approach is presented to investigate the effect of irradiation on the long-term mechanical behavior of 316 stainless steel, which are under consideration for use in nuclear reactors. The temporal evolution of Frenkel pairs and extended defect population, under a chosen irradiation flux and temperature, is predicted using the CD model. The impact of the irradiation defects on the stress state, and the resulting dislocation-mediated inelastic deformation, is modeled concurrently with the CP model. The inelastic deformation is irradiation flux dependent, and early-stage defect evolution determines the later-stage mechanical behavior in 316 stainless steel.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Structure and mechanical properties of grain boundaries in molybdenum disulfide (MoS 2 )

Molybdenum disulfide (MoS 2 ) is a two-dimensional material widely used as a lubricant in many applications involving mechanical loading under a wide range of operating temperatures. Since many synthesis and processing techniques yield MoS 2 in its polycrystalline form, establishing grain boundary (GB) structure–property relations is key to designing MoS 2 microstructures with tailored properties. Here, we employ classical, reactive atomistic simulations to investigate the structure and mechanical behavior of a wide range of GBs in MoS 2 as a function of temperature. Using a bicrystal MoS 2 geometry, we characterize the atomic structure and calculate the energy of several low-angle GBs. Then, we simulate the tensile deformation behavior of MoS 2 bicrystals at several temperatures. Our results reveal that at temperatures above 100 K, the deformation of MoS 2 bicrystals is characterized by the nucleation of shear bands from GBs that grow, with subsequent loading, into the MoS 2 crystals. At low temperatures, the tensile deformation is characterized by the nucleation and propagation of deformation fronts, resulting in altered bond angles and bond lengths. Quantitative analysis reveals a decrease in the ultimate tensile stress and ultimate failure strain of MoS 2 bicrystals with the increase in temperature. Furthermore, our simulations of the mechanical behavior of metastable GBs reveal that the strength and ductility decrease with the increase in energy of these boundary structures. In broad terms, our work provides future avenues to employ GB engineering as a strategy to tailor the properties of MoS 2 microstructures.

Moore, Robert D. [Lehigh Univ., Bethlehem, PA (Uni↗
DOE OSTI2025

Developing reliable machine learning interatomic potential for Fe–Cr–Ni austenitic alloys

Gaining atomistic understanding of mechanical behavior of heat-resistant structural materials such as Fe–Cr–Ni-based alloys requires an approach with an accuracy close to density functional theory (DFT) that considers the intrinsic properties of the bulk lattice and important defects such as stacking faults, grain boundaries, and surfaces. This work aims to develop reliable machine learning interatomic potential (MLIAP) at cross-scale for Fe–Cr–Ni ternary alloys with a focus on the face-centered-cubic (fcc) solid solution structure. Leveraging the advantages of moment tensor potentials, which typically necessitate a relatively small training dataset and enable rapid calculations using the large-scale atomic/molecular massively parallel simulator package, we ensure the stability and accuracy of the trained potentials. Important defects such as stacking faults, grain boundaries, and surfaces for wide-range compositions are investigated. Structural, thermal, elastic, and defect properties are determined from molecular dynamics simulations comprising several thousand atoms, generated via canonical Monte Carlo simulations guided by the trained potential. The trained potential allows efficient atomic simulations of structural, thermal, and mechanical properties of fcc Fe–Cr–Ni solid solution alloys as a function of composition and temperature. Therefore, the MLIAP approach represents a major advancement from DFT calculations that are limited to small simulation sizes and traditional molecular dynamics simulations using relatively low accuracy potentials. Furthermore, this work outlines a practical foundation for further investigating the structural evolution and mechanical behavior of austenitic stainless steel and nickel-based alloys in a wide array of applications in extreme environments.

Crystal structure↗
DOE OSTI2025

Microstructure, stored energy, and stability of H/He-filled nanocavities in low temperature irradiated Inconel 718

The microstructure, trapped transmutation gases, stored energy, and mechanical behavior of samples from an irradiated Inconel 718 proton beam window were characterized using transmission electron microcopy, thermal desorption spectrometry (TDS), differential scanning calorimetry (DSC), and tensile testing. In the as-irradiated condition the microstructure contained a high number density of 1–3 nm gas-filled nanocavities. Emissions of trapped gases, H and He, during TDS correlated with peaks of the energy release curves from DSC examinations, which suggest these gases were likely stored in highly stable defect traps. The stored energy from radiation damage saturated at doses of a few dpa and did not increase with increasing radiation dose, but the amount of stored H and He increased with increasing dose. Effects of post-irradiation annealing were studied as well. After exposure to 700 °C, the nanocavities grew only slightly to 2–4 nm in diameter, but after exposure to 900 °C, the cavities grew to 10–20 nm in diameter and electron energy-loss spectroscopy showed these cavities contained a core of He surrounded by a shell of H. Further, this study demonstrated that the irradiation defect structures containing H and He were remarkably stable during irradiation and after exposure up to 700 °C. The effect of the irradiation temperature, defect mobility, and interaction of H, He, and irradiation defects on mechanical behavior provides insight into the processes responsible for the unusual recovery in ductility with increasing radiation dose observed in Inconel 718 after high energy proton and spallation neutron irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Behavior and mechanisms of Doppler wind lidar error in complex terrain: stable flow case study at Perdigão

A numerical experiment is carried out investigating the magnitude of biases in ground-based lidar measurements in complex flow conditions. Biases assessed include those arising from flow curvature and from the interaction of turbulence with the wind field reconstruction (WFR) algorithms used by a WindCube lidars and anemometers. RANS-CFD and WRF-LES simulations were performed for the Perdig˜ao Field Experiment site for a range of atmospheric conditions. Virtual anemometer and lidar data were generated for four locations: two near exposed ridge tops and two in low-speed regions in the valley. The LES data at these four locations show that the scalar inflation terms (the relation between scalar and vector averaged wind speed) for virtual lidar and virtual cups agree very well with predictions using perturbation theory. While the lidar errors vary greatly with location and height, the contribution from the flow curvature tends to be larger than the differences arising from scalar inflation. For one lidar/mast pair near the ridge top, comparisons between simulations and measurements are carried out for a resonant mountain wave event on June 14th, 2017, and for the whole duration of the Perdigão campaign for winds perpendicular to the ridges. The lidar error during the mountain wave, a period of strong stability and low inversion height, is significantly larger than the campaign average. The sensitivity of the lidar error to atmospheric stability is confirmed by the RANS simulations, which suggests strong sensitivity of flow curvature error to stability conditions and to the shape of the wind speed profile near the top of the boundary layer.

17 WIND ENERGY↗
DOE OSTI2024

Thermal stability and coarsening of eutectic and near-eutectic Ni–Ce alloys

Ni–Ce alloys are currently being studied as a castable alternative to conventional Ni-based superalloys. To understand the evolution of microstructure and mechanical behavior at elevated temperatures, this study investigates the mechanism of coarsening behavior in eutectic and near eutectic Ni–Ce at 900 °C. The as-cast eutectic Ni–Ce consists of a combination of fine lamellar and rod eutectic colonies with coarser boundary regions. Upon annealing, continuous coarsening, via process of globularization, initiates at colony boundaries or primary dendrites where faults (termination and branches) in the lamellar structure are plentiful. Coarsening then proceeds by a combination of fault migration mechanism and lamellar boundary splitting, growing toward the center of the eutectic colonies with increasing annealing time. Coarsening near the center of a colony is extremely slow, indicating the eutectic microstructure itself is very stable. Here, the near-eutectic alloys containing primary dendrites coarsen and stabilize faster compared to the fully eutectic alloy. Moreover, an anomaly is observed in the hardness of the fully eutectic alloy after long exposure at elevated temperature compared to the near-eutectic alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mitigate Stress Corrosion Cracking (SCC) in High-strength Al Castings (CRADA 508)

Development of high strength, corrosion resistant, aluminum alloys is important to a number of industries, including automotive, aerospace, power, etc. Understanding how processing methods such as casting, chemistry, additives and recycle content affect an alloy’s microstructure and performance in real world environments is crucial to their implementation. One major concern is how the repeated exposure to saline solutions can be detrimental to the structural integrity of aluminum alloy components. This study was undertaken as a collaboration between Eck Industries and PNNL to investigate the stress corrosion cracking (SCC) and corrosion behavior of aluminum alloys. This work examines the SCC response of three different materials set. First is cast A206 Al alloy produced by three different casting techniques (i.e., permanent mold, and sand casting with and without chill) and with or without nano forming additives as potential grain refiners. The second materials set comprises Al alloy tubes extruded by PNNL’s ShAPE process and produced using raw material with three different ratios of twitch and pre-consumer Al 6061 scrap. Finally, the third materials set comprises two Al-Si-Mg-Fe alloys with controlled Si% and Fe% to mimic recycle grade Al alloys. The corrosion behavior of these materials was characterized using SCC testing and scanning electrochemical cell microscopy (SECCM) technique; mechanical behavior was characterized using tensile testing, and microstructure was characterized using optical and electron microscopy techniques. Of the A206 Al alloys, the samples with nano forming additives performed poorly compared to those without. The best SCC performance (i.e. least degradation in mechanical properties) was demonstrated by A206 alloy sand cast with chill while the permanent mold sample showed the worst SCC performance. The SECCM was performed on A206 alloy sand cast with chill to understand the effect of microstructure and determine the location-dependent corrosion properties on grain boundaries (GB) and inside grains (IG) on the sample. The corrosion potential and current measured on GB and IG at various points on the sample established that the GB locations are more cathodic and corrosive than the IG locations. Further work needs to be conducted to investigate the mechanisms behind the observed dependence of SCC on casting technique and nano forming additives. Among the ShAPE extruded tubes, SECCM data suggests the decreasing order of tendency to corrode as follows: 100% twitch > 75% twitch > 50% twitch. Finally, both variants of the Al-Si-Mg-Fe alloys showed a large volume fraction of Fe- and Si-containing intermetallics and additional work is needed to discern differences in their respective corrosion responses. In summary, correlating local electrochemical behavior (e.g. via SECCM) with micro/nanostructure, in conjunction with bulk mechanical behavior, can help identify the right fabrication method and alloy chemistry to minimize SCC issues in Al alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Orientation-Dependent Nanomechanical Behavior of Pentaerythritol Tetranitrate as Probed by Multiple Nanoindentation Tip Geometries

Nanoindentation can be leveraged to aid in the high fidelity modeling of dislocation mediated plasticity in pentaerythritol tetranitrate (PETN), an anisotropic energetic molecular crystal. Moreover, nanoindentation tip parameters such as tip geometry, size, and degree of acuity can be utilized to target anisotropic behavior. In this work, nanoindentation was conducted across a range of orientations on the (110) face of PETN to characterize resultant yield behavior, mechanical property measurements, and resultant slip behavior and fracture initiation. Three different indentation tips were utilized: a 3-sided pyramidal Berkovich tip, a 4-sided high aspect ratio Knoop tip, and a 90° conical tip. Ultimately, indenter tip radius was documented to impact yield behavior, whereas tip geometry affected larger scale processes such as slip, and tip acuity was the dominating factor that led to fracture. The axisymmetric conical tip, serving as a baseline, showed the least amount of variation in mechanical property measurements but also the largest distribution of maximum shear stress at which initial yielding occurred. Its high degree of acuity, however, was more prone to induce fracture at higher loads. The Knoop tip was shown to be suitable for average measurements, but also for elucidation of certain anisotropic features. A distinctly higher perceived hardness at 45° was measured with the Knoop tip, indicating less dislocation motion in that direction also observed in this work via scanning probe microscopy. Lastly, the commonly used Berkovich tip was a good compromise whereby it provided a representative volume element describing the average behavior of the material. These results can be utilized to target desired anisotropic behavior in a wider range of molecular crystals, as well as to inform theoretical considerations for dislocation mediated plasticity in PETN.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mechanical response of HFIR-irradiated M5FRAMATOME cladding under simple and complex loading conditions

This study investigates the mechanical behavior of High Flux Isotope Reactor (HFIR) irradiated M5FRAMATOME cladding under simple and complex loading conditions through axial tensile and reversible cyclic bending. Axial tension specimens were pre-machined prior to HFIR irradiation while cyclic bend specimens were inserted as intact tubes. Tests articles were neutron-irradiated to 4 and 16 dpa, and specimens were tested at ORNL's hotcell facilities. The axial tension tests were conducted under constant displacement control, and the reversible cyclic bend tests were performed using ORNL's Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) apparatus. Results showed that mechanical response of Cr-coated and uncoated M5FRAMATOME cladding were similar and independent of irradiation dose for axial tension tests, while Cr-coated specimens’ reversible cyclic bend behavior differed from uncoated counterparts. For all tests, irradiation temperature showed a significant impact on the mechanical behavior. Below 280°C, all axial tensile specimens whether coated or not behaved similarly. Above 280°C, YS and UTS showed decrease with increasing irradiation temperature. A similar behavior was also observed in cyclic bend tests as well. The mechanical damage during cyclic bend tests was linked to damage accumulation in unirradiated Cr-coated zircaloy-4 specimens, and the effect of irradiation temperature was related to changing characteristics of defect mobility during high temperature irradiation.

Cinbiz, Nedim [ORNL] (ORCID:0000000346268515)↗
DOE OSTI2025

2025 Workshop on Envisioning Frontiers in AI and Computing for Biological Research: Position Papers

This workshop aims to identify key research directions for transforming biology using artificial intelligence (AI), machine learning (ML) and computational methods to facilitate the discovery of new behaviors, mechanisms, and designs of biological processes relevant to DOE missions, underpinning a broader U.S. bioeconomy. By developing novel AI/ML technologies to analyze and interpret complex biological data, researchers can organize and simulate biological processes at various scales as well as advance predictive understanding and manipulation of biological systems. This integration of computation, experimentation, and next-generation experimental technologies can lead to discoveries in new biological behaviors and mechanisms relevant to DOE missions. The focus is on how advanced computational and mathematical methods can impact this mission by exploring digital twins, foundation models, automated laboratory experiments, modeling of complex living systems, and data-driven approaches for the biodesign of plants and microbial systems. While data management is important, it is not the primary focus of this workshop, which will assess the current state, trends, and AI/ML challenges at the interface between biology and computational science to identify opportunities for high-impact research at their intersection. The goal is to define research needs and opportunities that align with biological sciences, computational sciences, and applied mathematics research.

59 BASIC BIOLOGICAL SCIENCES↗