Thermal Safety Research Articles

Electrode-electrolyte interactions dictate thermal stability of sodium-ion batteries.

This work delineates the thermal safety of full-scale sodium-ion batteries (SIBs) by interrogating the material-level electrochemical and thermal responses of micro and nano-structured tin (Sn) based anodes and sodium vanadium phosphate (NVP) cathodes in suitable electrolyte systems. Informed by these material-level signatures, we delineate cell-level thermal safety maps cognizant of underlying electrode-electrolyte interactions in SIBs.

Flexible solid-solid phase change material with zero leakage via in-situ preparation for battery thermal management

<p>Composite phase change material (CPCM) has great potential in addressing the challenges associated with thermal energy storage and thermal management. However, the flexibility and latent heat capacity of CPCM exist contradiction, hindering its wide application, especially in thermal management field. Herein, a novel solid-solid polyurethane structured phase change material including as chain segments PEG4000 and hexamethylene diisocyanate coupling with expanded graphite (PHE5) has been proposed and prepared via in-situ approach. Expand graphite is uniformly distributed and the carbamate group is produced by in-situ preparation, the high latent heat and anti-leakage characteristics of PHE5 are beneficial to sustain a constant mass with zero leakage even under 150�� heating condition. At a 3 C discharge rate, the battery module with PHE5 can reduce the maximum temperature to 59��, which is lower than the PE-based module. Additionally, the battery system can maintain the temperature difference below 4.5��, ensuring uniform temperature within the battery module. The flexibility and controlling temperature capabilities of PHE5 can effectively dissipate heat during charge and discharge cycles, and the mechanistic analysis of PHE5 with anti-leakage property can enhance the battery thermal safety, achieving comprehensive protection throughout normal operating and extreme conditions. Thus, this research reveals that solid-solid CPCM with polyurethane structured can improve the flexible and anti-leakage properties via in-situ preparation, which will offer an effective thermal safety solution for battery module, substantially enhancing the safety of millions of drivers and passengers.</p>

Adiabatic thermal runaway and safety relief design for hexamethylene diisocyanate reaction system

Runaway reaction may occur for hexamethylene-diisocyanate (HDI) with two active NCO groups during the reactions or storage and transportation when run into device failure, operation error and other unexpected environments, which would damage equipment or even cause explosions. Adiabatic experiments for HDI using Vent Sizing Package 2 (VSP2) is conducted and temperature and pressure changes over time, as well as the maximum temperature rise rate and maximum pressure rise rate, are obtained. The results show that the initial exothermic temperature of the system is 50°C, and the maximum temperature is 232°C and the heat of reaction is 414.7 kJ/kg, so the severity level of HDI is classified as "medium" according to the assessment criteria for the severity of a runaway reaction. The relief type of the reaction system is determined to be a gas system by analysis of the pressure change curve during heating and cooling processes, along with the temperature at the point of loss of control, and calculated by the DIERS method and Leung's correction method through Python programming, which is applied to determine the required safety relief device for an industrial scenarios, and the minimum relief area is calculated to be 0.0028m2 and 0.0019m2, respectively. The study verifies the higher reliability of the safety relief design for runaway reactions based on VSP2 experimental data.

ЭНЕРГОЗАТРАТЫ ПРОЦЕССА ПЛАВЛЕНИЯ БАЗАЛЬТА ЕНХОРСКОГО МЕСТОРОЖДЕНИЯ

Melting process is always accompanied by energy costs and losses, and its efficiency is determined primarily by energy efficiency index. The paper presents the results of energy consumption study of melting process of basalt from the Yenkhor deposit in plasma three-phase serial reactor and production of basalt mineral fibers. The main advantages of basalt fiber are low cost, high heat resistance, low thermal conductivity and environmental safety. The study calculates energy costs and determines composition of system under thermodynamic equilibrium conditions. Calculation of specific energy costs was performed using the TERRA software package. The article also provides an analysis of the obtained data and their comparison and reflects main phase transformations in melt.

Physiological thermal responses of three Mexican snakes with distinct lifestyles.

The impact of temperature on reptile physiology has been examined through two main parameters: locomotor performance and metabolic rates. Among reptiles, different species may respond to environmental temperatures in distinct ways, depending on their thermal sensitivity. Such variation can be linked to the ecological lifestyle of the species and needs to be taken into consideration when assessing the thermal influence on physiology. This is particularly relevant for snakes, which are a very functionally diverse group. In this study, our aim was to analyze the thermal sensitivity of locomotor performance and resting metabolic rate (RMR) in three snake species from central Mexico (Crotalus polystictus, Conopsis lineata, and Thamnophis melanogaster), highlighting how it is influenced by their distinctive behavioral and ecological traits. We tested both physiological parameters in five thermal treatments: 15 °C, 25 °C, 30 °C, 33 °C, and 36 °C. Using the performance data, we developed thermal performance curves (TPCs) for each species and analyzed the RMR data using generalized linear mixed models. The optimal temperature for locomotion of C. polystictus falls near its critical thermal maximum, suggesting that it can maintain performance at high temperatures but with a narrow thermal safety margin. T. melanogaster exhibited the fastest swimming speeds and the highest mass-adjusted RMR. This aligns with our expectations since it is an active forager, a high energy demand mode. The three species have a wide performance breadth, which suggests that they are thermal generalists that can maintain performance over a wide interval of temperatures. This can be beneficial to C. lineata in its cold habitat, since such a characteristic has been found to allow some species to maintain adequate performance levels in suboptimal temperatures. RMR increased along with temperature, but the proportional surge was not uniform since thermal sensitivity measured through Q10 increased at the low and high thermal treatments. High Q10 at low temperatures could be an adaptation to maintain favorable performance in suboptimal temperatures, whereas high Q10 at high temperatures could facilitate physiological responses to heat stress. Overall, our results show different physiological adaptations of the three species to the environments they inhabit. Their different activity patterns and foraging habits are closely linked to these adaptations. Further studies of other populations with different climatic conditions would provide valuable information to complement our current understanding of the effect of environmental properties on snake physiology.

Interactive effects of sedimentary turbidity and elevated water temperature on the Pugnose Shiner (Miniellus anogenus), a threatened freshwater fish.

High turbidity and elevated water temperature are environmental stressors that can co-occur in freshwater ecosystems such as when deforestation increases solar radiation and sedimentary runoff. However, we have limited knowledge about their combined impacts on fish behaviour and physiology. We explored independent and interactive effects of sedimentary turbidity and temperature on the swimming activity and both thermal and hypoxia tolerance of the Pugnose Shiner (Miniellus anogenus, formerly Notropis anogenus), a small leuciscid fish listed as Threatened under Canada's Species at Risk Act (SARA). Fish underwent a 15-week acclimation to two temperatures (16°C or 25°C) crossed with two turbidities (~0 NTU or 8.5 NTU). Swimming activity was measured during the first 8weeks of acclimation. Fish in warm water were more active compared to those in cold water, but turbidity had no effect on activity. Behavioural response to hypoxia was measured after 12weeks of acclimation, as the oxygen level at which fish used aquatic surface respiration (ASR). Fish in warm water engaged in ASR behaviour at higher oxygen thresholds, indicating less tolerance to hypoxia. Turbidity had no effect on ASR thresholds. Finally, thermal tolerance was measured as the critical thermal maximum (CTmax) after 13-15weeks of acclimation. Acclimation to warm water increased fish CTmax and Tag (agitation temperature) but reduced the agitation window (°C difference between Tag and CTmax) and thermal safety margin (°C difference between the acclimation temperature and CTmax). Furthermore, fish in warm, turbid water had a lower CTmax and smaller thermal safety margin than fish in warm, clear water, indicating an interaction between turbidity and temperature. This reduced thermal tolerance observed in Pugnose Shiner in warm, turbid water highlights the importance of quantifying independent and interactive effects of multiple stressors when evaluating habitat suitability and conservation strategies for imperilled species.

Air-stable lithium-sandwiched current collector for non-destructive, thermally safe, and sustained supplementary lithiation

This work proposed an air-stable lithium-sandwiched current collector, addressing the side effects and thermal safety hazards associated with contact prelithiation.

Stabilizing Layered Cathodes by High-Entropy Doping.

Layered Ni-rich oxide cathodes in lithium-ion batteries (LIBs) often struggle with poor thermal safety and capacity fade. Xin and colleagues' studies in Nature and Nature Energy demonstrate a novel high-entropy (compositionally complex) doping strategy, introducing "cocktail effects" from multiple constituents. This approach substantially improves cycling performance and stability, reduces material cost, and may pave the way toward the development of advanced electrodes for next-generation LIBs.

State-of-Charge Implications of Thermal Runaway in Li-ion Cells and Modules

The thermal safety of lithium-ion (Li-ion) batteries for electric vehicles continues to remain a major concern. A comprehensive understanding of the thermal runaway (TR) mechanisms in Li-ion cells and modules due to intrinsic factors such as state-of-charge (SOC) and cell-to-cell arrangement under abuse scenarios such as external heating is critical toward the development of advanced battery thermal management systems. This study presents a hierarchical TR modeling framework to examine the TR behavior of Li-ion cells at various SOCs and probe its implications on the thermal runaway propagation (TRP) in a battery module. We perform accelerating rate calorimetry (ARC) experiments with 3.25 Ah cylindrical Li-ion cells at different SOCs and demonstrate the strong SOC dependence of TR characteristics such as the onset temperature, maximum cell temperature, and self-heating rate. The thermo-kinetic parameters extracted from the ARC experiments are used to develop a TR model that captures the SOC-induced TR response in Li-ion cells. The mechanistic information from the cell-level model is used to examine the pathways for TRP in a battery module consisting of cells with uniform and imbalanced SOCs, thereby demonstrating the underlying role of SOC variability on the resulting TRP under abuse conditions.

A comparative investigation of two-phase immersion thermal management system for lithium-ion battery pack

The applications of lithium-ion batteries (LIBs) still suffer from thermal sensitivity and safety issues, especially given the rigorous requirements of fast charging and discharging. When choosing a proper battery thermal management system (BTMS), a comprehensive investigation should be made in terms of design complexity, system cost, and cooling efficiency, which usually forms a trade-off. In this study, four types of BTMS including air cooling, single phase immersion, indirect cooling, and two phase immersion are first evaluated on pouch battery pack. To describe the uniform heat generation, batteries are simulated by a three-dimensional electrochemical-thermal coupled model. Results show that air cooling and immersion cooling exhibits less extra weight, while two phase immersion delivers better in suppressing temperature rise and maintaining temperature uniformity. Then, the simulations involving different coolants are conducted for two phase immersion-based BTMS. The thermal behaviors of battery pack are examined at 5, 7, and 9 C discharge rates. The R1336mzz(Z) coolant with high boiling heat transfer coefficient is suitable for thermal management at high discharge rates. Besides, analysis reveals that increasing the immersion level of battery pack can improve battery temperature behaviors. This work is expected to provide preliminary proof of BTMS design for fast discharging.

Comparative analysis of thermal stability and electrochemical performance of NaNi1/3Fe1/3Mn1/3O2 cathode in different electrolytes for sodium ion batteries

The electrochemical compatibility and thermal stability of cathode and electrolyte guarantee the intrinsic safety of batteries. The NaNi1/3Fe1/3Mn1/3O2 (NaNFM) cathode for sodium ion batteries (SIBs) has not received, sufficient attention concerning its thermal safety compared to its electrochemical properties. Herein, we investigated the thermal stability of NaNFM, exothermic reaction and electrochemical performance of NaNFM with various electrolytes. The comprehensive electrochemical performance of NaNFM in different electrolytes followed this sequence: sodium hexafluorophosphate (NaPF6) > sodium bis(trifluoromethyl-sulfonyl)imide (NaTFSI) > sodium perchlorate (NaClO4)- based electrolytes. Additionally, ethylene carbonate (EC): propylene carbonate (PC)- type electrolytes displayed superior cycling stability compared to ethylene carbonate (EC): diethyl carbonate (DEC)- type electrolytes. Moreover, the heat flow profiles demonstrated that the thermal stability between NaNFM and various electrolytes could be ordered according to the total heat release as: NaClO4 < NaPF6 < NaTFSI-based electrolyte. X-ray diffractometer (XRD), scanning electron microscope (SEM) and x-ray photoelectron spectrometer (XPS) analyses were carried out to investigate the changes in crystal structure, morphology and valence state of thermal reaction products after microcalorimetric analysis experiments. These findings provide valuable insights for the safe application of the NaNFM cathode in SIBs.

Pushing the Energy-Lifetime Frontier of Li-Ion Batteries with Optimized Ni-Rich, Co-Free NMA-W Cathodes

Especially in the electric vehicle industry where both high energy density and long lifetime batteries are sought, Ni-based cathode materials such as LiNi1−x−yMnxCoyO2 (NMC) and LiNi1−x−yCoxAlyO2 (NCA) provide a fitting compromise in capacity and cyclability. In recent years, the high cost of cobalt in addition to the problematic geopolitics surrounding cobalt mining have motivated research efforts toward cobalt-free cathode materials.1 However, Ni-rich materials are subject to inevitable failure mechanisms such as microcracking and parasitic reactions with the electrolyte which are further aggravated with an increase in Ni-content and in the absence of Co.2 Many strategies have been proposed to overcome these challenges such as doping and/or coating the cathode particles,3 but there remains a need to further increase energy density with minimal compromise to lifetime.In this work we present a cathode active material system designed to push Ni-rich and Co-free materials to the limit of their performance. This is done by choosing optimal polycrystalline particle size, a balance of Mn and Al content, and a sufficient amount of high-valence doping. Additionally, appropriate synthesis conditions are needed to obtain the desired morphology and infuse the intergranular boundaries with the W dopant. It is then important to choose an appropriate upper cutoff voltage during cycling to maximize energy while avoiding drastic crystal changes.4 This optimized NMA-W material system delivers specific capacity above 200 mAh/g while retaining 95% of its capacity without relying on any amount of Co.The series of NMA-W materials presented in this work were characterized and tested. Scanning electron microscopy (SEM) images were used to observe morphology and crystallite growth after synthesis. X-ray diffraction (XRD) analysis was conducted to monitor the crystal parameters and accelerated rate calorimetry (ARC) was used to assess the thermal stability and safety of the material. Compression tests were also conducted to study the strength of the particles and their propensity to crack under stress. Choi, J. U., Voronina, N., Sun, Y. K. & Myung, S. T. Recent Progress and Perspective of Advanced High-Energy Co-Less Ni-Rich Cathodes for Li-Ion Batteries: Yesterday, Today, and Tomorrow. Adv. Energy Mater. 10, 1–31 (2020).Li, H. et al. An Unavoidable Challenge for Ni-Rich Positive Electrode Materials for Lithium-Ion Batteries. (2019) doi:10.1021/acs.chemmater.9b02372.Yan, W., Yang, S., Huang, Y., Yang, Y. & Guohui Yuan. A review on doping/coating of nickel-rich cathode materials for lithium-ion batteries. J. Alloys Compd. 819, 153048 (2020).Nam, G. W. et al. Capacity Fading of Ni-Rich NCA Cathodes: Effect of Microcracking Extent. ACS Energy Lett. 4, 2995–3001 (2019).

Nonflammable Gel Polymer Electrolyte for Lithium-Ion Batteries with Enhanced Safety and High-Temperature Performance

Lithium-ion batteries (LIBs) have become dominant power sources for various applications such as mobile electronics, electric vehicles and energy storage systems. However, liquid electrolytes currently used in LIBs have critical drawbacks such as flammability and leakage problem. In this regard, various electrolyte systems have been developed to enhance the battery safety while maintaining cycling performance. Among them, the chemically cross-linked gel polymer electrolytes (GPEs) can enhance the thermal safety of LIBs by effectively encapsulating organic solvents in the polymer matrix. However, they usually contain large amounts of organic solvents to achieve high ionic conductivity, making GPE be still flammable. To solve these problems, we designed and synthesized a novel phosphorus-based cross-linking agent with excellent flame retardancy. GPE was prepared by in-situ thermal curing of gel precursor containing liquid electrolyte and phosphorus-based cross-linking agent. The obtained GPE exhibited high ionic conductivity and nonflammability. The GPE was applied to lithium-ion cells composed of graphite anode and LiNi0.6Co0.2Mn0.2O2 cathode. Our results revealed that the lithium-ion cell employing GPE exhibited enhanced safety and improved high-temperature cycling performance compared to the cell with the liquid electrolyte.

(Invited) Methods for the Parameterisation of Battery Thermal Models

Thermal properties are fundamental parameters in every battery cell model. They govern how heat moves through the cell or dissipates once it has been produced. Modelling the movement of heat in batteries is essential for safety and also for accurate predictions of temperature. Electrical/electrochemical models of the cell are highly sensitive to temperature making accurate thermal properties an essential requirement. However, measuring these properties is extremely difficult due to the complex structure inside a cell. Previous measurement methods suffered from fundamental flaws and often battery thermal models are either over simplified or overly complex. This presentation will present the challenges faced before novel methods are presented which address this. This includes a novel method developed for measuring thermal conductivity which uses state-of-the-art heat flux sensors to reduce errors from up to 50% down to 5.6%. These novel methods represent the future for thermal parameterisation of lithium-ion batteries which will lead to accurate electrical/electrochemical models and improved thermal safety. Figure 1

Challenges of Scaling-up the Wet-Chemical Synthesis of β-Li3PS4

All-solid-state batteries are considered the next generation in battery technology due to increased energy and power density as well as freedom of design, e.g. by constructing batteries in bipolar stacks. Solid-state electrolytes offer advantages over conventional liquid electrolytes, such as greater thermal safety, because of high melting points, and higher mechanical strength. This is believed to suppress growth of lithium dendrites and, therefore, opens up the possibility of using a lithium metal anode. One promising material group is sulfides, because they are ductile and have a good intrinsic ionic conductivity. Some sulfide solid electrolytes can be synthesized wet-chemically. This offers advantages like tailoring the particle size, working at ambient temperatures, short synthesis durations, stabilizing meta-stable phases by using new synthesis routes and the possibility of transferring the routine to a continuous process. The particle size and morphology are important factors regarding the suitability to produce all-solid-state batteries wherefore small (< 10 µm) and homogeneous particles are preferred. The present research mainly focusses on finding and improving new materials and their usage in battery production, but there is little progress on mass-production of sulfide solid electrolytes. To scale-up a synthesis, multiple aspects have to be considered since they often influence both product and process. Therefore, an analysis and optimization of the synthesis process is necessary to support the development and to increase the economic attractiveness of new materials.In this presentation, the reaction enthalpy and the influences of concentration and solvent variation of synthesizing the sulfide solid electrolyte β-Li3PS4 are examined and discussed. β-Li3PS4 is synthesized by mixing lithium sulfide and phosphorus pentasulfide in a solvent, e.g. THF, at ambient conditions. After removing the solvent, heat treatment is used to obtain the crystalline product. We found that the mixing step contains a highly exothermic reaction and determined the reaction enthalpies using a reaction calorimeter. To handle the heat development, two options were investigated: First, the solvent amount was increased and second, the synthesis was performed using alternative solvents with different thermal properties. The examined solvents are THF, ethyl acetate and ethyl propionate. The reaction enthalpies of the synthesis in different solvents are compared. A strong influence on the particle size and morphology caused by the amount and choice of solvent could be detected by SEM. While the particle size increases with increasing amount of solvent, the shape of the particles alters under solvent variation. With low solvent amount the smallest particle sizes (< 10 µm) are synthesized. Finally, suggestions regarding the scale-up will be given based on the findings of these examinations.

Interphase Regulation by Multifunctional Additive Empowering High Energy Lithium-Ion Batteries with Enhanced Cycle Life and Thermal Safety.

High energy density lithium-ion batteries (LIBs) adopting high-nickel layered oxide cathodes and silicon-based composite anodes always suffer from unsatisfied cycle life and poor safety performance, especially at elevated temperatures. Electrode /electrolyte interphase regulation by functional additives is one of the most economic and efficacious strategies to overcome this shortcoming. Herein, cyano-groups (-CN) are introduced into lithium fluorinated phosphate to synthesize a novel multifunctional additive of lithium tetrafluoro (1,2-dihydroxyethane-1,1,2,2-tetracarbonitrile) phosphate (LiTFTCP), which endows high nickel LiNi0.8 Co0.1 Mn0.1 O2 /SiOx -graphite composite full cell with an ultrahigh cycle life and superior safety characteristics, by adding only 0.5 wt % LiTFTCP into a LiPF6 -carbonate baseline electrolyte. It is revealed that LiTFTCP additive effectively suppresses the HF generation and facilitates the formation of a robust and heat-resistant cyano-enriched CEI layer as well as a stable LiF-enriched SEI layer. The favorable SEI/CEI layers greatly lessen the electrode degradation, electrolyte consumption, thermal-induced gassing and total heat-releasing. This work illuminates the importance of additive molecular engineering and interphase regulation in simultaneously promoting the cycling and thermal safety of LIBs with high-nickel NCMxyz cathode and silicon-based composite anode.

Interphase Regulation by Multifunctional Additive Empowering High Energy Lithium‐Ion Batteries with Enhanced Cycle Life and Thermal Safety

AbstractHigh energy density lithium‐ion batteries (LIBs) adopting high‐nickel layered oxide cathodes and silicon‐based composite anodes always suffer from unsatisfied cycle life and poor safety performance, especially at elevated temperatures. Electrode /electrolyte interphase regulation by functional additives is one of the most economic and efficacious strategies to overcome this shortcoming. Herein, cyano‐groups (−CN) are introduced into lithium fluorinated phosphate to synthesize a novel multifunctional additive of lithium tetrafluoro (1,2‐dihydroxyethane‐1,1,2,2‐tetracarbonitrile) phosphate (LiTFTCP), which endows high nickel LiNi0.8Co0.1Mn0.1O2/SiOx‐graphite composite full cell with an ultrahigh cycle life and superior safety characteristics, by adding only 0.5 wt % LiTFTCP into a LiPF6‐carbonate baseline electrolyte. It is revealed that LiTFTCP additive effectively suppresses the HF generation and facilitates the formation of a robust and heat‐resistant cyano‐enriched CEI layer as well as a stable LiF‐enriched SEI layer. The favorable SEI/CEI layers greatly lessen the electrode degradation, electrolyte consumption, thermal‐induced gassing and total heat‐releasing. This work illuminates the importance of additive molecular engineering and interphase regulation in simultaneously promoting the cycling and thermal safety of LIBs with high‐nickel NCMxyz cathode and silicon‐based composite anode.

The Impact of a Combined Battery Thermal Management and Safety System Utilizing Polymer Mini-Channel Cold Plates on the Thermal Runaway and Its Propagation

Lithium-ion batteries are widely used in mobile applications because they offer a suitable package of characteristics in terms of specific energy, cost, and life span. Nevertheless, they have the potential to experience thermal runaway (TR), the prevention and containment of which require safety measures and intensive thermal management. This study introduces a novel combined thermal management and safety application designed for large aspect-ratio battery cells such as pouches and thin prismatics. It comprises polymer-based mini-channel cold plates that can indirectly thermally condition the batteries’ faces with liquid. They are lightweight and space-saving, making them suitable for mobile systems. Furthermore, this study experimentally clarifies to which extent the application of polymer mini-channel cold plates between battery cells is suitable to delay TR by heat dissipation and to prevent thermal runaway propagation (TRP) to adjacent cells by simultaneously acting as a thermal barrier. NMC pouch cells of 12.5 Ah capacity were overcharged at 1 C to induce TR. Without cold plates, TR and TRP occurred within one hour. Utilizing the polymer mini-channel cold plates for face cooling, the overcharge did not produce a condition leading to cell fire in the same time frame. When the fluid inlet temperature was varied between 5 and 40 °C, the overcharged cell’s surface temperature peaked between 50 and 60 °C. Indications were found that thermal conditioning with the polymer cold plates significantly slowed down parts of the process chain before cell firing. Their peak performance was measured to be just under 2.2 kW/m2. In addition, thermal management system malfunction was tested, and evidence was found that the polymer cold plates prevented TRP to adjacent cells. In conclusion, a combined thermal management and safety system made of polymer mini-channel cold plates provides necessary TR-related safety aspects in lithium battery systems and should be further investigated.

TATB thermal decomposition: An improved kinetic model for explosive safety analysis

AbstractWe investigate and model the cook‐off behavior of 1,3,5‐triamino‐2,4,6‐trinitrobenzene (TATB) to understand the response of explosive systems in abnormal thermal environments. Decomposition has been explored via conventional ODTX (one‐dimensional time‐to‐explosion), PODTX (ODTX with pressure‐measurement), PyGC‐MS (pyrolysis gas chromatography mass spectrometry), TGA (thermo‐gravimetric analysis), DSC (differential scanning calorimetry), and IR (infrared spectroscopy) experiments under isothermal and ramped temperature profiles. The data were used to fit rate parameters for proposed reaction schemes in a MATLAB thermo‐chemical computational model. These parameterizations were carried out utilizing a genetic algorithm optimization method on LLNL's high‐performance computing clusters, which enabled significant parallelization. These results include a multi‐step reaction decomposition model, identification of likely autocatalytic gas‐phase species, accurate high‐temperature sensitization, and prediction of confined system pressurization. This model will be scalable to several applications involving TATB‐based explosives, like LX‐17, including thermal safety models of full‐scale systems.

Predicting the future of threatened birds from a Neotropical ecotone area.

Climate change affects ecosystems in different ways. These effects are particularly worrying in the Neotropical region, where species are most vulnerable to these changes because they live closer to their thermal safety limits. Thus, establishing conservation priorities, particularly for the definition of protected areas (PAs), is a priority. However, some PA systems within the Neotropics are ineffective even under the present environmental conditions. Here, we test the effectiveness of a PA system, within an ecotone in northern Brazil, in protecting 24 endangered bird species under current and future (RCP8.5) climatic scenarios. We used species distribution modeling and dispersal corridor modeling to describe the priority areas for conservation of these species. Our results indicate that several threatened bird taxa are and will potentially be protected (i.e., occur within PAs). Nonetheless, the amount of protected area is insufficient to maintain the species in the ecotone. Moreover, most taxa will probably present drastic declines in their range sizes; some are even predicted to go globally extinct soon. Thus, we highlight the location of a potentially effective system of dispersal corridors that connects PAs in the ecotone. We reinforce the need to implement public policies and raise public awareness to maintain PAs and mitigate anthropogenic effects within them, corridors, and adjacent areas, aiming to conserve the richness and diversity of these already threatened species.