Engineering topics

Simmons, Kevin L.

Publications and source records attributed to Simmons, Kevin L..

At least 19 records

DOE OSTI2026

An Experimental and Numerical Study of Plasma Treatment Effects on Adhesive Joints of Metals, CFRTPs, and Metal–CFRTP Combinations

This work investigates the effects of plasma surface treatment on both the local adherend–adhesive interfacial strength and the global lap shear strength (LSS) of adhesively-bonded joints composed of metals, CFRTPs, and metal-CFRTP combinations, using AA6061 and CFRPPA as representative examples. Experimental and computational results show that plasma treatment improved the ratio of CFRPPA–adhesive interfacial normal strength to adhesive tensile strength (sint,n/scri,t,adhesive) from 0.59–1.00 to 0.91–1.73, leading to an average 90% increase in LSS for CFRPPA-related joints. In contrast, the LSS and sint,n/scri,t,adhesive values of AA6061–AA6061 joints (>=2.27) remained nearly unchanged after plasma treatment. The enhanced joint bonding was further supported by post-failure surface morphologies from three-dimensional profilometry and simulations, showing a transition from dominant interfacial failure to mixed modes involving interfacial, cohesive, and slight fiber-peeling failures. The LSS evolution with respect to sint,n/scri,t,adhesive was numerically established until the saturation of the LSS of various joints, and the behavior of AA6061–CFRPPA T-joints with varying interfacial strengths was also modeled. This study highlights the importance of local interfacial bonding strength, rather than global LSS, for understanding and optimizing the mechanical performance of adhesively-bonded composite–metal and composite-composite structures via different surface modification strategies.

Qiao, Yao (ORCID:0000000265867604)↗

DOE OSTI2026

Ambient-Pressure Chemical Recycling of Thermoset Carbon Fiber-Reinforced Polymers via Low-Temperature Solvolysis: Techno-Economic and Life-Cycle Assessment

Carbon fiber-reinforced polymer (CFRP) waste is rapidly accumulating, with global volumes projected to exceed 500,000 tons annually by 2050. Virgin carbon fiber production is extremely energy- and cost-intensive, and growing demand has intensified supply-chain vulnerabilities associated with precursor availability and reliance on critical materials. Scalable recycling technologies therefore offer not only environmental benefits but also opportunities to reduce material costs and strengthen domestic composite supply chains. This study introduces an efficient, mild chemical recycling method for epoxy-amine CFRPs, utilizing acetic acid (80 wt%) and zinc acetate (1 wt%) at atmospheric pressure and low temperature (~110 °C). The solvolysis process preserves residual resin (~40%) on recycled carbon fibers (rCF), enhancing interfacial bonding in remanufactured composite materials. Recycled fibers retain ~90% of their mechanical properties, and recovered oligomers show potential for reuse in epoxy formulations, supporting material circularity. Techno-economic analysis (TEA) and life-cycle assessment (LCA) confirm the scalability and sustainability of this process.

Recycling CFRP↗

DOE OSTI2026

Effect of Specimen Thickness on Fracture Toughness and Plane Stress to Plane Strain Transition in Medium-Density Polyethylene

This study investigates the effect of specimen thickness on fracture toughness and the transition from plane stress to plane strain conditions in Medium-Density Polyethylene (MDPE) using Single Edge Notched Bend (SENB) specimens. Three thickness groups (7.5 mm, 9.0 mm, and 12.1 mm) were tested following ASTM D5045 protocol. Conditional stress intensity factors (KQ) increased from 2.2 MPavm to 2.8 MPavm with increasing thickness, demonstrating significant size dependency. Confocal microscopy revealed a 34% reduction in maximum crack tip opening displacement (CTOD) from 0.478 mm to 0.314 mm as thickness increased, with plastic zone lateral extent decreasing by 32%. This quantitative evidence validates Irwin's theoretical prediction of plastic zone size transition from plane stress r_y˜ (1/2p) (K_I/s_y )^2 to plane strain conditions r_y˜ (1/6p) (K_I/s_y )^2.Scanning electron microscopy confirmed progressive suppression of shear lips and evolution from ductile tearing with extensive polymer chain drawing in thin specimens to localized crazing in thick specimens. Despite all specimens satisfying the ASTM D5045 criterion (B = 2.5(KQ/s_y )^2 ) ,residual shear lips persisted even in the thickest specimens, demonstrating that nominal size requirements alone are insufficient for achieving complete plane strain conditions in highly ductile polymers. The findings emphasize the necessity of integrated analytical and morphological assessment for valid fracture toughness characterization, with critical implications for life assessment and integrity prediction in thick-section polymer components such as natural gas distribution pipelines.

Medium-Density Polyethylene↗

DOE OSTI2026

A mild calcium carbonate treatment improves moisture resistance and mechanical/interfacial properties of jute and hemp fibers

Natural fibers are attractive, sustainable reinforcements, but often exhibit high moisture uptake and weak bonding with polymer matrices. In this study, jute and hemp were treated by immersion in aqueous calcium carbonate (CaCO3) suspensions (10–40?wt.%, 1.5?h, room temperature) and were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), moisture sorption testing, single-fiber tensile testing, and bundle pull-out testing. SEM showed granular CaCO3 deposition on fiber surfaces, with particulates bridging surface voids and microcracks. At 40 wt.% CaCO3, equilibrium moisture uptake decreased to ~5% (hemp) and ~3% (jute), while tensile strength increased to ~904 MPa (hemp) and ~960 MPa (jute). Apparent interfacial shear strength from pull-out testing increased up to ~1.35 MPa (hemp) and ~0.56 MPa (jute). These results indicate that CaCO3 deposition is a mild, scalable surface treatment that improves moisture resistance, fiber tensile strength, and interfacial load transfer relevant to semi-structural composite applications, including interior and secondary automotive components.

Calcium carbonate treatment↗

DOE OSTI2024

STUDIES ON PIPELINE POLYETHYLENES IN HYDROGEN GAS ENVIRONMENTS USING IN-SITU AND EX-SITU CHARACTERIZATION METHODS

Polymeric materials are commonplace in the natural gas infrastructure as distribution pipes, coatings, seals, and gaskets. Under the auspices of the U.S. Department of Energy HyBlend program, one of the means to reduce greenhouse gas emissions is with replacing natural gas, either partially or completely, with hydrogen. This approach makes it imperative that we conduct near-term and long-term materials compatibility research in these relevant environments. Insights into the effects of hydrogen and hydrogen gas blends on polymer integrity can be gained through both ex-situ and in-situ analytical methods. Our work represented here highlights a study of the behavior of pipeline polyethylene (PE) materials, including HDPE (Dow 2490 and GDB50) and MDPE (Ineos and legacy Dupont Aldyl A), when exposed to hydrogen by means of in-situ X-ray scattering and ex-situ Raman spectroscopy techniques. Samples were tested in ex-situ hydrogen and argon gas environments and in-situ hydrogen environments to identify differences due to permeation and solubility of these gases. These methods complemented each other because Raman spectroscopy could capture permanent effects after materials were removed from gaseous environments, and in-situ X-ray scattering analysis collected real-time data to elucidate the impact of the gas environment on polymer microstructure. Data collected revealed that the aforementioned polymers did not show significant changes in crystallinity and microstructure under the exposure conditions tested. Our findings from these studies will help establish real-time effects caused by hydrogen gas transport through pipeline polyethylenes by way of its influence on polymer structure and chemistry, which is directly related to pipeline mechanical strength and longevity of service.

Hydrogen materials compatibility, Natural gas pipe↗

DOE OSTI2024

In-Situ and Ex-Situ Studies on the Morphology Changes of Polymer Pipeline Materials for Use in Hydrogen Gas Environments

The US natural gas infrastructure is a national asset that could be used to deliver hydrogen and hydrogen blends of natural gas as a pathway to reduce carbon emissions. The distribution system comprises nearly 50% plastic pipe composed of medium- and high-density polyethylene materials (MDPE and HDPE). While these materials perform adequately for natural gas, research on their hydrogen compatibility is essential to understand if any immediate and long-term risks are associated with hydrogen addition. The Blended Gas CRADA, a HyBlend project, has established a comprehensive test method for evaluating MDPE and HDPE of various plastic resin compositions of pipeline material in pure hydrogen and 20% hydrogen/80% methane blends. Both in-situ and ex-situ measurements were performed to capture hydrogen-induced changes in the polyethylene material's crystalline, amorphous and their interphase regions. We investigated MDPE and HDPE pipeline materials made from different polymer resin systems to evaluate the effects of hydrogen gas. The materials were characterized by their density, diffusion coefficient, free volume ratio, and degree of crystallinity. Various advanced characterization methods, including in situ NMR, ex situ XRD, ex situ DSC, and ex situ TDA, were used to analyze the effects of changes in crystalline, amorphous, and interphase regions due to gas exposure. Time-dependent post-decompression quasi-static tensile tests were conducted to explore the effects of gas exposure time on the mechanical behavior of the pipe materials. This work will highlight the time sensitivities during and after gas exposure. The correlation between gas-induced polyethylene morphology changes and the associated material performance will be addressed for the intended applications. These studies will show that polyethylene resin composition and material exposure are important factors when considering whether hydrogen gas affects pipeline materials positively or negatively.

Simmons, Kevin L.↗

DOE OSTI2024

Investigating In-Situ Fracture Behaviors of Polymer Pipeline Materials in Hydrogen and Hydrogen-Methane Blended Gas Environments

To reduce carbon emissions, the US natural gas infrastructure is seen as a primary solution for efficiently transporting hydrogen gas. Blending hydrogen gas with natural gas and transporting it across a national infrastructure could save significant infrastructure costs. To properly operate the infrastructure under the new gas system, it is critical to understand material compatibility with hydrogen under various conditions. The Blended Gas CRADA, a Hyblend project, is established to determine the material compatibility of existing natural gas pipes with hydrogen gas. In this study, we investigate the in-plane fracture behaviors of MDPEMarlex and HDPEGDB exposed to hydrogen and hydrogen-methane blended gas. Single-edge notch bending geometry is used. All tests are executed in-situ with the gas environment. The experimental results show a significant effect of the gas environment on HDPEGDB specimens, reducing 5% (H2) to 42% (Blended gas) of specific fracture energy compared to non-aged specimens. For the MDPEMarlex, the effects of the gas environment have increased the specific fracture energy by 10% (H2) to 15% (Blended gas). Fracture surfaces of the tested samples are observed using an electronic microscope. The in-plane fracture surface of HDPEGDB shows a pronounced dimple fracture pattern after exposure to hydrogen and blended gas. The expanded fracture pattern contributes to lower the specific fracture energy. These observations provide critical information for validating polymer pipeline materials when interact with hydrogen and hydrogen-blend gas.

Ko, Seunghyun↗

DOE OSTI2024

Evaluation of Common Thermoplastic Polymers in High-Pressure Cycling Hydrogen Under Ambient and Cold Environments as Applicable to the Hydrogen Infrastructure

Thermoplastic polymers are required to perform unfailingly under stringent conditions of changing pressures (35 MPa to 70 MPa) and temperatures (-40°C to +85°C) in storage and fueling operations. Although diffusivity in glassy polymers appear to be an order of magnitude lower than elastomers, polymer microstructural attributes such as degree of crystallinity and presence of polar and non-polar groups on the main chain with and without branching can play a substantial role in influencing their behaviors in hydrogen environments. In the work described here, the effect of high-pressure hydrogen cycling on PEEK, PTFE, PA11, HDPE, POM (and different commercial grades of these polymers) under ambient and cold (-40°C) conditions is addressed. Ex-situ characterization for polymer changes included density measurements for impact of hydrogen retention, hardness changes using nanoindentation, storage modulus and glass transition changes using dynamic mechanical and thermal analysis (DMTA), degree of crystallization with Differential Scanning Calorimetry (DSC) and tensile testing following ASTM D412. In other evaluations, solid-state nuclear magnetic resonance (NMR), attenuated total reflectance Fourier transform infra-red spectroscopy (ATRFTIR), X-ray diffraction (XRD), and X-ray CT results are presented. The overall impact of these evaluations is to establish a technical basis for the behaviors of common thermoplastics in cycling hydrogen environments under ambient and cold temperatures while establishing the relationship between polymer structure-based properties and hydrogen transport effects.

Menon, Nalini C.↗

DOE OSTI2024

Polymer-fiber-reinforced polymers with enhanced interfacial bonding between polypropylene fiber and polyethylene matrix

Self-reinforced composites (SRCs) consist of reinforcing fibers and a base matrix made of the same thermoplastic polymer, offering lightweight, recyclability, and sustainability benefits. However, limited research exists on composites where the reinforcing thermoplastic polymer fibers differ from the base thermoplastic matrix. Here, this study focuses on investigating the mechanical behavior of such composites and exploring different surface modification methods to enhance the fiber/matrix interfacial bonding using polypropylene fibers and a polyethylene matrix as an example. It is shown that surface treatment with a commercial adhesion promoter containing n-butyl acetate significantly improves the interfacial shear strength between polypropylene fibers and the polyethylene matrix, increasing it by 145% compared to other methods investigated. Additionally, increasing the length of the embedded polymer fiber in the matrix leads to a notable increase in specific interfacial energy. Consequently, the thermoplastic polymer-fiber-reinforced polymers (PFRPs) using surface-treated woven polypropylene fabrics and a polyethylene matrix exhibit a 20% higher tensile strength and a 65% higher toughness compared to non-treated PFRPs. This study also shows that specific mechanical properties (normalized by the composite density) of the investigated woven PFRPs are similar to those of non-treated SRCs under uni-axial tension. Particularly, their ductility outperforms carbon-/glass-/aramid-fiber-reinforced polymers by at least 6 times at a same fiber volume fraction. The investigation of such composites and the exploration of surface modification methods present important progress in the field of thermoplastic PFRPs, which serve as a solution for addressing concerns related to recyclability and sustainability.

Fiber pull-out↗

DOE OSTI2024

Effects of processing temperature, pressure, and fiber volume fraction on mechanical and morphological behaviors of fully-recyclable uni-directional thermoplastic polymer-fiber-reinforced polymers

This work explores a type of composite called thermoplastic polymer-fiber-reinforced polymers (PFRPs), often referred to as self-reinforced composites (SRCs). A representative PFRP was exemplified using unidirectional (UD) ultra-high-molecular-weight polyethylene (UHMWPE) fibers embedded in a high-density polyethylene (HDPE) matrix. The effects of compression molding temperature and pressure on the mechanical and morphological behaviors of the filament-wound PFRPs with various fiber volume fractions (V f ) were experimentally investigated. The results elucidate the evolution of morphologies and tensile properties of the PFRPs due to thermal melting, fiber misalignment from pressure, and (V f )-induced structural variance, which has not been comprehensively reported yet. The highest specific tensile strength and modulus of the PFRP laminae reach 600 MPa/(g/cm 3 ) and 31 GPa/(g/cm 3 ), respectively. These properties are comparable to glass-/aramid-fiber-reinforced polymers (GFRPs, GFRTPs, AFRPs, and AFRTPs), with PFRPs exhibiting better ductility (specific strain at peak load ≈ 4%/(g/cm 3 )) than other common polymer composites. The motivation for this work was the high recyclability of PFRPs, which can be recycled by melting both the fibers and the matrix, and then reshaped them for re-manufacturing composites to maximize the efficiency in material reuse. This process simplifies the implementation of closed-loop recycling, re-manufacturing, and reuse to support sustainability in composites. This work aims to contribute to advancing thermoplastic PFRPs for their potential applications in various industries.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Equivalent Properties of Interfacial Void Defects at the CFRTP-adhesive Interface and Their Detrimental Effects on the Bonding Performance of Metal-CFRTP Dissimilar Joints

This paper revealed the detrimental effects of micro-scale air interfacial voids on the debonding at the interface of carbon-fiber-reinforced polyphthalamide (CFRPPA) and thermoset adhesive, representing a weak adherend-adhesive interface, within a dissimilar joint made of an aluminum alloy and a CFRPPA. The reduced lap shear strength of the joint, due to different void area fractions at the CFRPPA-adhesive interface, can be computationally described by using equivalent interfacial properties in the modeling to avoid the explicit modeling of the micro-scale interfacial voids. Such equivalent interfacial properties (e.g., interfacial normal strength, etc.) was found to have a non-linear relationship with respect to interfacial void area fraction as well as lap shear strength. This work has practical applications by utilizing equivalent interfacial properties for the analytical and/or computational design(s) of adhesively bonded joints.

Qiao, Yao↗

DOE OSTI2024

Exploring Failure of Adhesively-Bonded Joints with Different Void Sizes at the Same Void Volume Fraction through A Micro-scale Numerical Modeling

This paper studied the effects of void sizes on the failure behavior of adhesively-bonded materials under global shear via micro-scale computational modeling. The numerical results indicate that large void sizes with increased distances between them at the same void volume fraction can alleviate the reduced joint strength of a weaker adherend-adhesive interface caused by interfacial voids. However, this is not the case for an adherend-adhesive interface with the interfacial tensile strength being sufficiently higher than the adhesive strength, showing the negligible effect on the joint strength due to various void sizes and the amount of interfacial voids. This preliminary investigation provides insightful information for scaling up the void size in the macro-scale computational modeling of joints, and enhances the understanding of the micro-mechanical adhesion in adherend-adhesive interfaces with different levels of bonding.

Qiao, Yao↗

DOE OSTI2024

Wholly Sustainable, Cost-Effective Carbon Fiber-Nylon Compounds CRADA 592 (Final Report)

Carbon fiber composites have attracted considerable attention due to the potential for substantial mass savings, with many examples now implemented in the low-volume luxury car market. However, migration to higher volume applications has been hindered by: (a) high material cost, (b) high processing times, and (c) perception of low Sustainability. This project will address all three of these barriers: (a) carbon fiber material to replace aluminum in structural components at a cost penalty of no more than $5/Kg-saved (aka weight buy), (b) fitting into high-rate processes for automotive production like injection molding, and (c) end-to-end Sustainable material – based on post industrial waste carbon fiber and nylon 66 and ability to recycle end-of-life auto parts. The opportunity lies in combining DowAksa capabilities in carbon fiber manufacturing, resin chemistry intermediate production with the unique testing capabilities inherent within PNNL. The teams from PNNL and DowAksa held several meetings virtually and in-person in Michigan and at PNNL, including a lab tour at PNNL. Throughout, the teams discussed DowAksa material sources, commercially available recycled base materials, and preliminary material properties. The teams also engaged in multiple discussions and evaluations of potential automotive applications based on the ideas suggested by PNNL. The teams discussed several potential automotive applications in which recycled carbon fiber and recycled PA resin can be used. The PNNL team identified 38 cast aluminum components that can potentially be assessed for redesign using the DowAksa materials system. The PNNL team also identified 27 polyamide components. The teams discussed the lists and narrowed it down to a handful of applications that are exterior and interior to common vehicle architectures. The team also considered semi-structural and structural components and short-listed the highest potential candidates, such as cross-car-beam. The cross-car beam was considered to be highly suitable and potentially viable demonstration applications based on the properties of the materials as well as the weight savings potentials and the reduction in embodied energy by utilizing wholly sustainable materials, since both materials, carbon fiber and resin, were derived from recycled materials. The next step was to reach out to potential OEMs and/or Tier1s who were interested in exploring such technology for future applications. However, the project was terminated, and no further discussions or exchange of information took place. No new data were generated, including no IP and no publications.

36 MATERIALS SCIENCE↗

DOE OSTI2024

An in-situ view cell system for investigating swelling behavior of elastomers upon high-pressure hydrogen exposure

The transition to hydrogen as a clean and efficient energy carrier is impeded by challenges in the compatibility of hydrogen with materials used within hydrogen infrastructure. Elastomers, crucial in sealing components, often exhibit premature failures in high-pressure hydrogen environments due to excessive swelling. This study employs an innovative in-situ view cell system to assess the swelling behavior of hydrogenated nitrile butadiene rubber (HNBR) under various hydrogen conditions. The system, designed to withstand pressures up to 96.5 MPa, incorporates Digital Image Correlation (DIC) for strain measurements and volume estimation. Results reveal non-linear volume increases during depressurization, challenging conventional assumptions. Furthermore, investigations into peak hydrogen pressures and pressure-holding scenarios during decompression highlight complex swelling trends. The introduction of a novel computer vision (CV) method enhances precision in volume estimation, overcoming DIC limitations. The study provides insights into mitigating elastomer swelling, crucial for developing robust materials to support future hydrogen-driven energy systems.

Elastomer↗

DOE OSTI2024

Mild chemical recycling of carbon fiber-reinforced epoxy composites in aqueous buffers and development of hydrothermally recyclable vitrimer composites from recyclates

Carbon fiber-reinforced polymer (CFRP) composites have gained widespread adoption across diverse industries. However, their inherent stability, stemming from the crosslinked structure of the matrix resin, poses a significant challenge in managing the growing volume of CFRP waste. Consequently, there is a pressing need for an eco-friendly upcycling method that effectively recovers and reuses both the valuable carbon fibers and the polymer matrix from CFRP waste. This study presents a novel approach for upcycling CFRP waste under environmentally friendly conditions. Firstly, CFRP waste with an amine-cured epoxy matrix was completely decomposed in aqueous buffer solutions under mild conditions (≤ 220 °C, pH = 4.8). Further, decomposed matrix polymer (DMP) was employed to transform conventional epoxy resins into recyclable vitrimers. Lastly, new composites that can be hydrothermally recycled were fabricated using both DMP and recovered carbon fibers. As a result, this work proposes a novel strategy for achieving a circular economy within the CFRP industry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Sequential Dual Alignments Introduce Synergistic Effect on Hexagonal Boron Nitride Platelets for Superior Thermal Performance

Planarly aligning 2D platelets is challenging due to their additional orientational freedom compared to 1D materials. Here, this study reports a sequential dual-alignment approach, employing an extrusion-printing-induced shear force and rotating-magnetic-field-induced force couple for platelet planarly alignment in a yield-stress support bath. It is hypothesized that the partial alignment induced by a directional shear force facilitates subsequent axial rotation of the platelets for planar alignment under an external force couple, resulting in a synergistic alignment effect. This sequential dual-alignment approach achieves better planar alignment of 2D modified hexagonal boron nitride (mhBN). Specifically, the thermal conductivity of the 40 wt% mhBN/epoxy composite is significantly higher (692%) than that of unaligned composites, surpassing the cumulative effect of individual methods (only 133%) with a 5 times more synergistic effect. For 30, 40, and 50 wt% mhBN composites, the thermal conductivity values (5.9, 9.5, and 13.8 W m –1 K –1 ) show considerable improvement compared to the previously reported highest values (5.3, 6.6, and 8.6 W m –1 K –1 ). Additionally, a 3D mhBN/epoxy heat sink is printed and evaluated to demonstrate the feasibility of device fabrication. The approach enables the planar alignment of electrically or thermally conducting 2D fillers during 3D fabrication.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Acrylonitrile-butadiene-lignin thermoplastic rubber adhesive for enhanced metal-to-metal joining

With the growing requirement for lightweight structural materials in automotive, aerospace, and infrastructure applications, multi-material joints made with adhesive have attracted intense research interest. Commercial thermoset adhesives are one-time cures, and difficult to disassemble the bonded components for repair and recycling. Our prior work with a thermoplastic acrylonitrile-butadiene-lignin rubber (ABL) addresses this sustainability/recycling challenge, but the adhesive exhibits deficient joining strength compared to standard thermosets. Here, we modify the ABL matrix by loading particulate fillers to enhance its modulus and toughness. Further, the goal is to manufacture a cure-free thermoplastic adhesive system with a simple dispensing protocol and characteristic ductility combined with a high yield stress for improved shear strength of a bonded joint. Fumed silica (FS) and epoxidized glass spheres (EGS) were used as fillers in the ABL to promote the dispersion of lignin particles that tailored the functionalities and free energy components of the adhesive surface. With optimal loading of FS (5 wt%) and EGS (30 wt%) in the ABL adhesive matrix, the lap-shear strength of the bonded aluminum joint was elevated by 128%, compared to the neat ABL, reaching 21 MPa, which is 90% of the performance of a commercial epoxy-based adhesive.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Phase field modeling of hydrogen release in nitrile-butadiene rubber composites after high-pressure hydrogen exposure

Experimental data showed that a simple diffusion model doesn’t suffice to explain the hydrogen (H 2 ) release kinetics in nitrile butadiene rubber (NBR) composites (one with no filler or plasticizer, one with plasticizer only, one with fillers and plasticizer, and one with fillers only) after exposed to hydrogen gas at a pressure of 27.6 MPa. In this work, we developed a phase field model that considers the effect of H 2 gas bubble evolution on H 2 release kinetics. With the model, we simulated the effect of thermodynamic and kinetics properties on the nucleation, growth, and shrinkage of gas bubbles and H 2 release kinetics during and after decompression. Here, the results demonstrated that 1) the model built upon certain thermodynamic and kinetics properties of a given material can well describe its H 2 release kinetics measured in experiments, and 2) the model can predict the gas bubble evolution, which is associated with the material property degradation and failures, with accurate thermodynamic and kinetics properties or H 2 release data from experiments.

08 HYDROGEN↗