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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Chemo-Mechanics of α-V 2 O 5 During Lithiation and Implications for Rechargeable Battery Cathodes

Chemo-mechanical degradation of layered oxide electrodes is strongly influenced by crystallographic anisotropy, local stress evolution, and ion insertion, yet the intrinsic mechanical response of layered materials remains incompletely understood. Indeed, most prior studies have focused on polycrystalline materials but single crystals enable direct observation of coupling between anisotropic ion diffusion and mechanical response. This study aims to determine how crystallographic anisotropy and lithiation affect deformation, fracture, and mechanical properties in single-crystal V 2 O 5 , and compares this behavior with polycrystalline counterparts. Polycrystalline V 2 O 5 thin films and single-crystal α-V 2 O 5 were studied using nanoindentation, scanning electron microscopy, focused ion beam cross-sectioning, and Raman spectroscopy. Single crystals were tested in pristine and chemically lithiated states, including experiments in which crystals were first plastically deformed via nanoindentation and subsequently lithiated. Polycrystalline films exhibited significantly higher hardness and elastic modulus than single crystals. Single crystals indented normal to the exposed (001) basal plane exhibited pronounced anisotropic deformation, including directional slip, crystallographically-guided cracking, anisotropic crack propagation, interlayer separation, and shear localization. Lithiation caused substantial softening, reduced hardness and modulus, and suppressed displacement bursts during nanoindentation, while previously indented regions showed crack formation and growth upon lithiation. Mechanical behavior of α-V 2 O 5 is strongly governed by crystallographic anisotropy and further altered by lithiation, with pre-existing deformation serving as a strong driver of fracture during ion insertion. These findings illuminate the coupling among ion insertion, deformation, and fracture in layered oxides and provide a basis for understanding and mitigating mechanical failure in electrochemical energy-storage materials.

Anisotropy↗
DOE OSTI2024

Frontiers in Magnetic Materials

Magnetism is crucial to many modern technologies, a driver for condensed matter physics research and one of the most remarkable and diverse properties of matter. We propose to develop understanding of novel magnetism and magnetic related behavior in materials and use this to accelerate the discovery of forefront magnetic materials. The approach is via the connection of magnetic properties to specific structures and materials. Topics that will be addressed are (1) Metallic magnetic materials with unusually low carrier concentrations and/or moments (2) Magnetism arising from unusual chemistry including 4d and 5d magnetism and (3) Materials with strong spin-fluctuations, which can lead to quantum criticality, spin-fluctuation induced superconductivity and other novel quantum behavior. These topics overlap, for example, the 4d ruthenates include ferromagnets (perovskite SrRuO 3 ), extremely high ordering temperature antiferromagnets (honeycomb lattice SrRu 2 O 6 ) and well as quantum materials with strong spin fluctuations (layered perovskite Sr 2 RuO 4 and Sr 3 Ru 2 O 7 ). We will use of density calculations to connect magnetic properties with chemistry and structure and employ phenomenological theories to extend these results to properties that are not directly given by direct first principles methods and we will conduct tests to explore the limitations of density functional approximations and new functionals.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Gasdynamics and shock dynamics of weak shock waves

Experiments in weak-shock dynamics were conducted using a 17-in. diameter shock tube. Weak shocks were generated in air by a compressed nitrogen driver gas; the incident shock waves were brought to a focus by reflecting them from concave cylindrical reflectors at the endwall of the tube. It was found that the behavior of a shock discontinuity at a focus is determined by nonlinear gasdynamic processes. Consideration is also given to nonlinear resonance phenomena, i.e., phenomena associated with oscillatory motion in ducts, with amplitude so large that weak shocks occur. Attention is given to nonlinear resonance in open and closed tubes and to thermal and relaxation effects.

Sturtevant, B.↗
NASA NTRS1990

High-frequency ac power distribution in Space Station

A utility-type 20-kHz ac power distribution system for the Space Station, employing resonant power-conversion techniques, is presented. The system converts raw dc voltage from photovoltaic cells or three-phase LF ac voltage from a solar dynamic generator into a regulated 20-kHz ac voltage for distribution among various loads. The results of EASY5 computer simulations of the local and global performance show that the system has fast response and good transient behavior. The ac bus voltage is effectively regulated using the phase-control scheme, which is demonstrated with both line and load variations. The feasibility of paralleling the driver-module outputs is illustrated with the driver modules synchronized and sharing a common feedback loop. An HF sinusoidal ac voltage is generated in the three-phase ac input case, when the driver modules are phased 120 deg away from one another and their outputs are connected in series.

Tsai, Fu-Sheng↗
DOE OSTI2025

Initial Uncertainty Analysis of Carbon Tetrachloride Contamination and Remediation in the Ringold A and Lower Mud Units at the Central Plateau

The long-term effectiveness of groundwater cleanup at the Hanford Site Central Plateau depends on predictive models that can capture key uncertainties in contaminant fate and transport. Carbon tetrachloride (CCl 4 ), a persistent and toxic compound, presents particular challenges due to variability in degradation rates, uncertainty in initial plume distribution, and subsurface heterogeneity. These uncertainties directly influence plume persistence, migration pathways, and remedy performance, and thus must be systematically evaluated to support long-term remediation planning. To address these gaps, a large-scale Monte Carlo analysis was conducted using the Plateau to River (P2R) model framework. The modeling approach parameterized three primary uncertainty factors: (1) degradation rate, (2) initial plume distribution, and (3) hydraulic conductivity. Degradation was represented as a first-order process, with half-lives ranging from 70 to 700 years. Initial plume distributions were created using a geostatistical simulation method (sgsim), which generates many equally plausible versions of how contaminants might be distributed underground. From this, 100 different scenarios were mapped onto the P2R grid. Variability in hydraulic conductivity was represented in a similar way, with 100 scenarios each for the Ringold Lower Mud and Ringold A units (layers 6 and 7), based on fitted exponential variograms and conditioned to well data. In total, more than 1000 realizations were simulated to assess plume behavior under uncertainty. Results demonstrate that degradation kinetics exert the strongest control over plume persistence: Shorter half-lives produced rapid mass reduction, while longer half-lives yielded persistent plumes with limited attenuation. A nonlinear response was observed, with steep mass reductions at half-lives greater than 200 years and near-linear declines beyond this threshold, reflecting interactions between degradation and pumping. The initial plume distribution strongly influenced early transport patterns, with broader sources generating larger plume footprints, although pump-and-treat operations constrained plume migration to managed areas. By comparison, hydraulic conductivity variability in the Ringold units had only a secondary influence, modifying spreading behavior without altering the dominant migration pathways governed by source configuration and hydraulic controls. Overall, the analysis highlights that uncertainty in degradation rate and initial plume configuration are the primary drivers of variability in plume predictions, while conductivity heterogeneity plays a limited role. These findings underscore the need for improved site-specific data on degradation processes and source characterization to enhance the reliability of long-term performance assessments and to better inform remedial decision-making at the Central Plateau.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1992

Performance data of the new free-piston shock tunnel T5 at GALCIT

A new free piston shock tunnel has been constructed at the Graduate Aeronautical Laboratories at Caltec. Compression tube length is 30 m and diameter 300 mm. Shock tube length is 12 m and diameter 90 mm. Piston mass is 150 kg and maximum diaphragm burst pressure is 130 MPa. Special features of this facility are that the pressure in the driver gas is monitored throughout the compression process until well after diaphragm rupture, and that the diaphragm burst pressure can be measured dynamically. An analysis of initial performance data including transient behavior of the flow over models is presented.

Hornung, H.↗
NASA NTRS1973

Topologies for neutral functional differential equations.

Bounded topologies are considered for functional differential equations of the neutral type in which present dynamics of the system are influenced by its past behavior. A special bounded topology is generated on a collection of absolutely continuous functions with essentially bounded derivatives, and an application to a class of nonlinear neutral functional differential equations due to Driver (1965) is presented.

Melvin, W. R.↗
DOE OSTI2026

Machine learning enables reconstruction of past fire regimes from charcoal-derived fire intensity and fuel composition

Background Fire is a foundational ecological process that shapes ecosystem structure, diversity, and resilience. Quantifying paleofire regime attributes such as frequency, severity, and intensity is essential for understanding the historical range of variability in fire behavior and its ecological effects. While frequency and severity are often reconstructed in paleofire studies, quantitative reconstructions of fire intensity remain limited. Recent work has shown that maximum pyrolysis temperature—a proxy for fire intensity—and plant species type can be inferred from charcoal using transmission Fourier-transform infrared (FTIR) spectroscopy. However, the sample preparation for transmission FTIR is destructive and time-consuming, limiting application and reuse of materials for other analyses. We evaluated reflectance FTIR spectroscopy as a non-destructive alternative for reconstructing combustion temperature and plant species from laboratory-generated charcoal. We also examined the influence of contrasting airflow environments (ambient air versus nitrogen-rich) on pyrolysis temperature and plant species reconstruction prediction accuracies and compared predictive performance between a novel, neural network–based deep learning model with the traditional modern analogue technique (MAT) using k-nearest neighbor functions. As proof of concept, we apply our enhanced methodology to ancient charcoal to demonstrate applicability at improving long-term fire regime reconstructions and the ability to link paleofire records with contemporary fire ecology. Results Our analysis shows that transmission and reflectance FTIR spectra yield comparable spectral profiles. However, sample preparation for reflectance FTIR is minimal and non-destructive, unlike transmission FTIR which is destructive. We demonstrate that oxygen environments improved reconstruction accuracy relative to nitrogen-rich conditions. Finally, our deep learning neural network (DL) achieved testing accuracies of 98.7% for temperature and 96.2% for species identification, outperforming MAT’s k-NN approach (89.8% and 65.9%, respectively). A Shapley importance analysis identified 5 key spectral regions that greatly influenced the model’s temperature or species categorization. When applied to ancient charcoal, our results show historic fires from the most recent past primarily burned at low intensities (400–500 °C), reflective of natural fire regimes in ponderosa pine forests. Our results corroborate charcoal morphology data that suggests all ancient charcoal originated from burned woody plant types. Conclusions By combining reflectance FTIR spectroscopy with a deep learning approach, we provide the first accuracies high enough to confidently identify both species and temperature from laboratory-produced charcoal, improving quantitative reconstructions of fire intensity and fuel composition from paleofire records. This opens a wide range of research into the link between fire and larger drivers (i.e., climate or human) and greater ecological understanding of fire regimes beyond that of burn scars or recent observations. These methodological improvements have direct relevance for fire management by improving interpretation of historical fire behavior, informing fuel–fire relationships, and providing a scalable analytical framework applicable to both long-term ecological studies and contemporary fire science.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

Time-dependent quasi-one-dimensional simulations of high enthalpy pulse facilities

A numerical methodology is presented for simulating the time-dependent reacting flow inside the entire length of high enthalpy pulse facilities. The methodology is based on a finite-volume TVD scheme for the quasi-1D Euler equations coupled with finite-rate chemistry. A moving mesh and tracking of gas interfaces are used to overcome certain numerical difficulties associated with these types of flows. Simulation results of a helium driven shock tube show that computations can be used to predict the off-tailored behavior of shock tubes and tunnels. Particular attention is given to computations of the flow through the NASA Ames 16-inch combustion driven shock tunnel which show the influence of nonuniformities in the driver section on the reservoir conditions; and the effect of finite secondary diaphragm opening times on the chemical composition of the test flow in the HYPULSE expansion tube.

Wilson, Gregory J.↗
NASA NTRS2019

The Southern Ocean Sea Surface Temperature Response to Ozone Depletion: A Multi-Model Comparison

The effect of the Antarctic ozone hole extends downwards from the stratosphere, with clear signatures in surface weather patterns including a positive trend in the Southern Annular Mode (SAM). Several recent studies have used coupled climate models to investigate the impact of these changes on Southern Ocean sea surface temperature (SST), notably motivated by the observed cooling from the late 1970s. Here we examine the robustness of these model results through comparison of both previously published and new simulations. We focus on the calculation of ‘climate response functions' (CRFs), transient responses to an instantaneous step-change in ozone concentrations. The CRF for most models consists of a rapid cooling of SST, followed by a slower warming trend. However, inter-model comparison reveals large uncertainties, such that even the sign of the impact of ozone depletion on historical SST, when reconstructed from the CRF, remains unconstrained. Comparison of these CRFs with SST responses to a hypothetical step-change in the SAM, inferred through lagged linear regression, shows broadly similar results. Causes of uncertainty are explored by examining relationships between model climatologies and their CRFs. The inter-model spread in CRFs can be reproduced by varying a single subgrid-scale mixing parameter within a single model. Antarctic sea-ice CRFs are also calculated: these do not generally exhibit the two-time-scale behavior of SST, suggesting a complex relationship between the two. Finally, by constraining model climatology-response relationships with observational values, we conclude that ozone depletion in unlikely to have been the primary driver of the observed SST cooling trend.

Climate response functions (CRF)↗
DOE OSTI2024

Psychosocial experiences are associated with human brain mitochondrial biology

Psychosocial experiences affect brain health and aging trajectories, but the molecular pathways underlying these associations remain unclear. Normal brain function relies on energy transformation by mitochondria oxidative phosphorylation (OxPhos). Two main lines of evidence position mitochondria both as targets and drivers of psychosocial experiences. On the one hand, chronic stress exposure and mood states may alter multiple aspects of mitochondrial biology; on the other hand, functional variations in mitochondrial OxPhos capacity may alter social behavior, stress reactivity, and mood. But are psychosocial exposures and subjective experiences linked to mitochondrial biology in the human brain? By combining longitudinal antemortem assessments of psychosocial factors with postmortem brain (dorsolateral prefrontal cortex) proteomics in older adults, we find that higher well-being is linked to greater abundance of the mitochondrial OxPhos machinery, whereas higher negative mood is linked to lower OxPhos protein content. Combined, positive and negative psychosocial factors explained 18 to 25% of the variance in the abundance of OxPhos complex I, the primary biochemical entry point that energizes brain mitochondria. Moreover, interrogating mitochondrial psychobiological associations in specific neuronal and nonneuronal brain cells with single-nucleus RNA sequencing (RNA-seq) revealed strong cell-type-specific associations for positive psychosocial experiences and mitochondria in glia but opposite associations in neurons. As a result, these “mind-mitochondria” associations were masked in bulk RNA-seq, highlighting the likely underestimation of true psychobiological effect sizes in bulk brain tissues. Thus, self-reported psychosocial experiences are linked to human brain mitochondrial phenotypes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

M3SF-25LL010302052 - Radionuclide Interaction with Hydrothermally Altered Repository Materials

This progress report (Level 3 Milestone Number M3SF-25LL010302052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline Host Rock Properties & Processes - LLNL Number SF-25LL01030205. Observed changes in radionuclide sorption after bentonite/clay heating have implications for radionuclide diffusive transport through engineered barriers and must be considered when designing waste disposal repositories. Recent research performed at Los Alamos National Laboratory (LANL) has provided key insights regarding the hydrothermal alteration behavior of bentonite backfill in the presence of repository materials (steel, concrete, etc.). We are examining how this mineral alteration affects retardation behavior of a suite of radionuclides of interest to repository performance assessment. Sorption experiments and data analysis for 233 U were initiated in FY24 following earlier experiments performed on 243 Am, 90 Sr, 137 Cs. In FY25, we completed the 233 U study and initiated and completed a study of 237 Np sorption. Below, we summarize the results and potential impacts of hydrothermal alteration on radionuclide retardation and assess the importance of this process to radionuclide migration from a GHRDC. We also use statistical tools (i.e. PCA) to help us determine the major drivers in affecting changes in measured Kd values induced by hydrothermal alteration. These experiments also allow us to test the predictive ability of our component additivity approach to surface complexation and ion exchange. Our guiding hypothesis is that a robust surface complexation/ion exchange model and associated database can effectively predict changes in radionuclide sorption behavior resulting from the hydrothermal alteration of mineralogy in a repository near field. In November 2024 the paper “Selenium interaction with iron minerals: Quantitative comparison of sorption and coprecipitation impacts on mobility” was published in Applied Geochemistry. A short update of results to date is presented below. In FY25, we also actively supported the DITUSC project, which is part of the EURADII initiative, as associate partners. We are executing the Migration2025 conference and support associated the NEA-TDB and Thermochimie workshops that will provide critical international engagements and develop consensus and synergy in thermodynamics as it relates to supporting the US nuclear waste repository program.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Pooled Rideshare in the U.S.: An Exploratory Study of User Preferences

Pooled ridesharing offers on-demand, one-way, cost-effective transportation for passengers traveling in similar directions via a shared vehicle ride with others they do not know. Despite its potential benefits, the adoption of pooled rideshare remains low in the United States. This exploratory study aims to evaluate potential service improvements and features that may increase users’ willingness to adopt the service. The study analyzed transportation behaviors, rideshare preferences, and willingness to adopt pooled rideshare services among 8296 U.S. participants in 2025, building on findings from a 2021 nationwide survey of 5385 U.S. participants. The study incorporated 77 actionable items developed from the results of the 2021 survey to assess whether addressing specific user-generated topics such as safety, reliability, convenience, and privacy can improve pooled rideshare use. A side-by-side comparison of the 2021 and 2025 data revealed shifts in transportation behavior, with personal rideshare usage increasing from 22% to 28%, public transportation from 21% to 27%, and pooled rideshare from 6% to 8%, while personal vehicle (79%) use remained dominant. Participants rated features such as driver verification (94%), vehicle information (93%), peak time reliability (93%), and saving time and money (92–93%) as most important for improving rideshare services. A pre-to-post analysis of willingness to use pooled rideshare utilizing the actionable items as per respondents’ preferences showed improvement: “definitely will” increased from 15.9% to 20.1% and “probably will” rose from 35.6% to 47.7%. These results suggest that well-targeted service improvements may meaningfully enhance pooled rideshare acceptance. This study offers practical guidance for Transportation Network Companies (TNCs) and policymakers aiming to improve pooled rideshare as well as potential future research opportunities.

Transportation Network Companies (TNCs)↗
NASA NTRS2017

Chapter 15: Potential Surprises: Compound Extremes and Tipping Elements

The Earth system is made up of many components that interact in complex ways across a broad range of temporal and spatial scales. As a result of these interactions the behavior of the system cannot be predicted by looking at individual components in isolation. Negative feedbacks, or self-stabilizing cycles, within and between components of the Earth system can dampen changes (Ch. 2: Physical Drivers of Climate Change). However, their stabilizing effects render such feedbacks of less concern from a risk perspective than positive feedbacks, or self-reinforcing cycles. Positive feedbacks magnify both natural and anthropogenic changes. Some Earth system components, such as arctic sea ice and the polar ice sheets, may exhibit thresholds beyond which these self-reinforcing cycles can drive the component, or the entire system, into a radically different state. Although the probabilities of these state shifts may be difficult to assess, their consequences could be high, potentially exceeding anything anticipated by climate model projections for the coming century.

Kopp, R. E.↗
NASA NTRS2013

Autonomous Control of Space Nuclear Reactors

Nuclear reactors to support future robotic and manned missions impose new and innovative technological requirements for their control and protection instrumentation. Long-duration surface missions necessitate reliable autonomous operation, and manned missions impose added requirements for failsafe reactor protection. There is a need for an advanced instrumentation and control system for space-nuclear reactors that addresses both aspects of autonomous operation and safety. The Reactor Instrumentation and Control System (RICS) consists of two functionally independent systems: the Reactor Protection System (RPS) and the Supervision and Control System (SCS). Through these two systems, the RICS both supervises and controls a nuclear reactor during normal operational states, as well as monitors the operation of the reactor and, upon sensing a system anomaly, automatically takes the appropriate actions to prevent an unsafe or potentially unsafe condition from occurring. The RPS encompasses all electrical and mechanical devices and circuitry, from sensors to actuation device output terminals. The SCS contains a comprehensive data acquisition system to measure continuously different groups of variables consisting of primary measurement elements, transmitters, or conditioning modules. These reactor control variables can be categorized into two groups: those directly related to the behavior of the core (known as nuclear variables) and those related to secondary systems (known as process variables). Reliable closed-loop reactor control is achieved by processing the acquired variables and actuating the appropriate device drivers to maintain the reactor in a safe operating state. The SCS must prevent a deviation from the reactor nominal conditions by managing limitation functions in order to avoid RPS actions. The RICS has four identical redundancies that comply with physical separation, electrical isolation, and functional independence. This architecture complies with the safety requirements of a nuclear reactor and provides high availability to the host system. The RICS is intended to interface with a host computer (the computer of the spacecraft where the reactor is mounted). The RICS leverages the safety features inherent in Earth-based reactors and also integrates the wide range neutron detector (WRND). A neutron detector provides the input that allows the RICS to do its job. The RICS is based on proven technology currently in use at a nuclear research facility. In its most basic form, the RICS is a ruggedized, compact data-acquisition and control system that could be adapted to support a wide variety of harsh environments. As such, the RICS could be a useful instrument outside the scope of a nuclear reactor, including military applications where failsafe data acquisition and control is required with stringent size, weight, and power constraints.

Merk, John↗
NASA NTRS1972

Estimation of automobile-driver describing function from highway tests using the double steering wheel

The automobile-driver describing function for lateral position control was estimated for three subjects from frequency response analysis of straight road test results. The measurement procedure employed an instrumented full size sedan with known steering response characteristics, and equipped with a lateral lane position measuring device based on video detection of white stripe lane markings. Forcing functions were inserted through a servo driven double steering wheel coupling the driver to the steering system proper. Random appearing, Gaussian, and transient time functions were used. The quasi-linear models fitted to the random appearing input frequency response characterized the driver as compensating for lateral position error in a proportional, derivative, and integral manner. Similar parameters were fitted to the Gabor transformed frequency response of the driver to transient functions. A fourth term corresponding to response to lateral acceleration was determined by matching the time response histories of the model to the experimental results. The time histories show evidence of pulse-like nonlinear behavior during extended response to step transients which appear as high frequency remnant power.

Delp, P.↗
DOE OSTI2026

Wildfire-Power Grid Interactions: Feedback, Impacts, Monitoring, Modeling, and Mitigation Strategies

Wildfires are increasingly interacting with electric power systems through a two-way hazard chain: fires damage grid assets and trigger cascading outages, while grid faults can ignite new fires under hot, dry, and windy conditions. This review synthesizes the state of knowledge across five domains: (i) physical impacts of flames, heat, and smoke on lines, towers, insulators, and substations; (ii) power-infrastructure-initiated ignitions via conductor clash, high-impedance faults, and corona discharge; (iii) widespread blackouts and disproportionate societal impacts; (iv) multi-scale monitoring spanning laboratory tests, in-situ and grid-integrated sensors, and Earth observation; (v) coupled modeling that links fire behavior with grid operations; and (vi) technological and strategic mitigation pathways spanning prevention, response, and recovery. We integrate these domains into a novel 'feedback-aware' socio-technical framework. Through a longitudinal analysis (2005-2025) of global incidents, we identify that while vegetation contact remains the most frequent ignition source, aging infrastructure failure has emerged as a critical driver of catastrophic 'mega-fires'. We further identify persistent gaps, including limited interoperability of high-frequency grid and environmental data, scarce real-time data assimilation, and under-developed equity metrics for outage management. We conclude by outlining a research agenda to (1) deploy interoperable sensing architectures, (2) advance feedback-coupled fire-grid simulations, and (3) evaluate mitigation portfolios through techno-economic and fairness lenses. Recognizing wildfire-grid interactions as coupled socio-technical systems is essential for protecting infrastructure and communities and for ensuring reliable, sustainable electricity in a changing world.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Chemical templates of the Central Molecular Zone

Context . The Central Molecular Zone (CMZ) of the Milky Way exhibits extreme conditions, including high gas densities, elevated temperatures, enhanced cosmic-ray ionization rates, and large-scale dynamics. This makes it a perfect laboratory for astrochemical studies. With large-scale molecular surveys revealing increasing chemical and physical complexity in the CMZ, it is essential to develop robust methods to decode the chemical information embedded in this extreme region. Aims . A key step to interpreting the molecular richness found in the CMZ is building chemical templates tailored to its diverse conditions. In particular, understanding how CMZ environments affect shock and protostellar chemistry is crucial. The combined impact of high ionization, elevated temperatures, and dense gas remains insufficiently explored for observable tracers. Methods . For this study, we utilized UCLCHEM , a gas-grain time-dependent chemical model, to link physical conditions with their corresponding molecular signatures and identify key tracers of temperature, density, ionization, and shock activity. To achieve this, we ran a grid of models of shocks and protostellar objects representative of typical CMZ conditions, focusing on 24 species, including complex organic molecules. Results . Shocked and protostellar environments show distinct evolutionary timescales (≲10 4 vs. ≳10 4 years); 300 K emerges as a key temperature threshold for chemical differentiation. We find that cosmic-ray ionization and temperature are the main drivers of chemical trends. HCO + , H 2 CO, and CH 3 SH trace ionization, while HCO, HCO + , CH 3 SH, CH 3 NCO, and HCOOCH 3 show consistent abundance contrasts between shocks and protostellar regions over similar temperature ranges. Conclusions . We characterized the behavior of 24 species in protostellar and shock-related environments. While our models underpredict some complex organics in shocks, they reproduce observed trends for most species, supporting scenarios involving a need for recurring shocks in Galactic Center clouds and enhanced ionization toward Sgr B2(N2). Future work should assess the role of shock recurrence and metallicity in shaping chemistry.

Galaxy: center↗