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1,734 records · Page 93

Hot Water, Cold Reality: Feasibility Assessment of Iodine Removal in Heated Spacecraft Potable Water Systems

The current eXploration Potable Water Dispenser (xPWD) design removes iodine upstream of the heated leg due to concerns with the Activated Carbon and Ion Exchange (ACTEX) functionality in hot water, leaving the downstream volume without residual biocide. The NESC determined that this non-iodinated volume is a concern for microbial growth during exploration missions and proposed 33 biocide architecture options for future missions that could address this concern. The top-ranked architecture out of the report was Option 1: moving the iodine removal media as close to the dispensing needle as possible to minimize the wetted components without biocide in the xPWD. Three main challenges were identified with this proposed configuration. First, the hot water at 175 ± 25 °F is a concern for the potential physical degradation of the ion exchange resin and lowered adsorption capacity in activated carbon. Second, moving the ACTEX or alternative sorption media closer to the dispense needle increases the unheated volume downstream of the heater, challenging the ability for dispensed water to meet temperature requirements. Finally, bubbles evolved from dissolved gas coming out of solution in the heater could clog or reduce the efficiency of the sorption media. To address the first challenge, more thermally robust ion exchange resins were identified and adsorption capacity tests were planned and will be discussed in a companion ICES paper (ICES-2026-5). To address the dispense temperature concerns, allowable bed size and architectural configuration changes are proposed. The value of adding phase separators to remove bubbles and potential implementation schemes are discussed. These findings support the development of potable water systems resilient to microbial risks during long-duration space missions.

Biocide

Hot Water, Cold Reality: Feasibility Assessment of Iodine Removal in Heated Spacecraft Potable Water Systems

The current eXploration Potable Water Dispenser (xPWD) design removes iodine upstream of the heated leg due to concerns with the Activated Carbon and Ion Exchange (ACTEX) functionality in hot water, leaving the downstream volume without residual biocide. The NESC determined that this non-iodinated volume is a concern for microbial growth during exploration missions and proposed 33 biocide architecture options for future missions that could address this concern. The top-ranked architecture out of the report was Option 1: moving the iodine removal media as close to the dispensing needle as possible to minimize the wetted components without biocide in the xPWD. Three main challenges were identified with this proposed configuration. First, the hot water at 175 ± 25 °F is a concern for the potential physical degradation of the ion exchange resin and lowered adsorption capacity in activated carbon. Second, moving the ACTEX or alternative sorption media closer to the dispense needle increases the unheated volume downstream of the heater, challenging the ability for dispensed water to meet temperature requirements. Finally, bubbles evolved from dissolved gas coming out of solution in the heater could clog or reduce the efficiency of the sorption media. To address the first challenge, more thermally robust ion exchange resins were identified and adsorption capacity tests were planned and will be discussed in a companion ICES paper (ICES-2026-5). To address the dispense temperature concerns, allowable bed size and architectural configuration changes are proposed. The value of adding phase separators to remove bubbles and potential implementation schemes are discussed. These findings support the development of potable water systems resilient to microbial risks during long-duration space missions.

PWD

Tailoring Ion Transport in Li 3‐3y Ho 1+y Cl 6‐x Br x via Transition‐Metal Free Structural Planes and Charge Carrier Distribution

Abstract Localized atomistic disorder in halide‐based solid electrolytes (SEs) can be leveraged to boost Li + mobility. In this study, Li + transport in structurally modified Li 3 HoCl 6 , via Br − introduction and Li + deficiency, is explored. The optimized Li 3‐3 y Ho 1+ y Cl 6‐ x Br x achieves an ionic conductivity of 3.8 mS cm −1 at 25 °C, the highest reported for holmium halide materials. 6,7 Li nuclear magnetic resonance and relaxometry investigations unveil enhanced ion dynamics with bromination, attaining a Li + motional rate neighboring 116 MHz. X‐ray diffraction analyses reveal mixed‐anion‐induced phase transitions with disproportionate octahedral expansions and distortions, creating Ho‐free planes with favorable energetics for Li + migration. Bond valence site energy analysis highlights preferred Li + transport pathways, particularly in structural planes devoid of Ho 3+ blocking effects. Molecular dynamics simulations corroborate enhanced Li + diffusion with Br − introduction into Li 3 HoCl 6 . Li‐Ho electrostatic repulsions in the (001) plane presumably drive Li + diffusion into the Ho‐free (002) layer, enabling rapid intraplanar Li + motion and exchange between the 2d and 4h sites. Li 3‐3 y Ho 1+ y Cl 6‐ x Br x also demonstrates good battery cycling stability. These findings offer valuable insights into the intricate correlations between structure and ion transport and will help guide the design of high‐performance fast ion conductors for all‐solid‐state batteries.

Chemistry

A strong and ductile Super Kovar alloy via fully coherent nanoprecipitates

Emerging high-precision technologies demand materials with exceptional dimensional stability and mechanical robustness, as even microscopic thermomechanical deformation can cause functional failure. However, a fundamental trilemma exists: High strength, ductility, and low thermal expansion are mutually exclusive, as strengthening-induced lattice distortions compromise the spin-lattice coupling, which is essential for low thermal expansion. Here, we overcome this trilemma by designing “Super Kovar,” an Fe-Ni-Co-Al-Ta alloy, featuring fully coherent nanoprecipitates. It unifies a 1.0-gigapascal ultimate tensile strength and ∼39% elongation with a Kovar-grade thermal expansion of 3.81 × 10−6 K−1 (100 to 410 K). The key is a dense dispersion of L12 nanoprecipitates that form an almost strain-free coherent interface with the ferromagnetic matrix. Beyond providing precipitation strengthening, these coherent interfaces suppress intrinsic phonons of nanoprecipitates via elastic coupling while avoiding magnetic domain pinning to preserve the Invar effect of the matrix. This reduces the thermal expansion of the precipitates by 56% and achieves a fourfold enhancement in the strength-ductility product, establishing a paradigm for dimensionally stable, ultrastrong alloys.

Yu, Chengyi [University of Science and Technology

Atomistic‐Level Effects of Noncovalent Interactions and Crystalline Packing for Organic Material Structural Integrity upon Exposure to Gamma Radiation

Developing an atomistic understanding of ionizing radiation induced changes to organic materials is necessary for intentional design of greener and more sustainable materials for radiation shielding and detection. Cocrystals are promising for these purposes, but a detailed understanding of how the specific intermolecular interactions within the lattice upon exposure to radiation affect the structural stability of the organic crystalline material is unknown. This study evaluates atomistic-level effects of γ radiation on both single- and multicomponent organic crystalline materials and how specific noncovalent interactions and packing within the crystalline lattice enhance structural stability. Dose studies were performed on all crystalline systems and evaluated via experimental and computational methods. Changes in crystallinity were evaluated by p-XRD and free radical formation was analyzed via EPR spectroscopy. Type of intermolecular interactions and packing within the crystal lattice was delineated and related to the specific free radical species formed and the structural integrity of each material. Periodic DFT and HOMO-LUMO surface mapping calculations provided atomistic-level identifications of the most probable sites for the radicals formed upon exposure to γ radiation and relate intermolecular interactions and molecular packing within the crystalline lattice to experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Improving Marine Energy Production Through Commercialization of a Low Cost, Drag-Reducing Slippery Coating (CRADA 679 Abstract)

Marine energy capture systems offer great promise for providing clean energy, but they operate in a challenging and dynamic environment and must be optimized to the highest extent possible. Computational studies predict that drag reduction on marine energy and blue economy systems will result in meaningful improvements in energy efficiency. Based on extensive coating experience, PNNL is proposing to bring to market a new drag-reducing coating called Superhydrophobic Lubricant-Infused Drag-Efficient Coating – SLIDE-Coat. PNNL has a deep knowledge base regarding this class of slippery coatings, and we have a group of enthusiastic industry partners who have committed to partnering, conducting field testing, and providing well over 50% cost share. In addition to validating the technology, the team will create a commercialization roadmap to ensure the commercial success of the technology after the government-sponsored two-year program is complete. The main technical goal is to design, manufacture, and experimentally validate a new coating that can reduce hydrodynamic skin friction drag by 20%. The main commercialization goal is to develop a roadmap that identifies activities needed to complete SLIDE-Coat’s development after the conclusion of this project. Year 1 will focus on adaptation and modification of the existing SLIC coating system to optimize drag reduction and assessment and quantification of drag reduction on relevant materials in a laboratory setting. Year 2 will focus on optimizing and demonstrating drag reduction with preferred coatings. The manufacturability, ease of application, adhesion to relevant surfaces, and consistency will be assessed. Quantification of drag reduction on prototype materials in a relevant marine field setting will be executed.

16 TIDAL AND WAVE POWER

Surveyor Project Final Report: Part 1 - Project Description and Performance, Volume 1

The Surveyor Project planned and conducted seven unmanned lunar missions for which spacecraft were launched between May 1966 and January 1968. Each of the spacecraft was successfully launched with the then newly developed Atlas/Centaur vehicle which utilized for the first time a high-specific-impulse, liquid hydrogen/liquid oxygen fueled stage. Five of the spacecraft successfully soft-landed and returned a great quantity of engineering and scientific data on extensive postlanding operations, accomplishing all mission and project objectives. Four of the spacecraft soft-landed at selected mare sites to provide data which were required to support the Apollo Program. The final spacecraft was then successfully used for scientific investigation of a contrasting site in the rugged lunar highlands. Surveyor was a fully attitude-stabilized spacecraft designed to receive and execute a wide variety of earth commands, as well as to perform certain automatic functions including the critical terminal-descent and soft-landing sequences. Significant new and advanced subsystems that were developed and/or used in combination to enable Surveyor to execute the complex terminal phase of flight were: (1) a solid-propellant main retro motor, (2) throttlable liquid-propellant vernier engines (also used for midcourse velocity correction), (3) highly sensitive velocity- and altitude-sensing radars, and (4) an automatic closed-loop guidance and control system. The first Surveyor spacecraft carried a survey television camera which, together with other engineering instrumentation, obtained in-flight and postlanding data. The complement of instruments carried on later missions included various combinations of the following additional devices: (1) a soil mechanics/surface sampler instrument for picking, digging, and handling lunar surface material; (2) an alpha scattering instrument for performing a chemical analysis of the lunar surface material; and (3) magnets attached to the spacecraft for determining magnetic properties of the soil.

Jet Propulsion Laboratory

Surveyor Project Final Report: Part 1 - Project Description and Performance, Volume 2

The Surveyor Project planned and conducted seven unmanned lunar missions for which spacecraft were launched between May 1966 and January 1968. Each of the spacecraft was successfully launched with the then newly developed Atlas/Centaur vehicle which utilized for the first time a high-specific-impulse, liquid hydrogen/liquid oxygen fueled stage. Five of the spacecraft successfully soft-landed and returned a great quantity of engineering and scientific data on extensive postlanding operations, accomplishing all mission and project objectives. Four of the spacecraft soft-landed at selected mare sites to provide data which were required to support the Apollo Program. The final spacecraft was then successfully used for scientific investigation of a contrasting site in the rugged lunar highlands. Surveyor was a fully attitude-stabilized spacecraft designed to receive and execute a wide variety of earth commands, as well as to perform certain automatic functions including the critical terminal-descent and soft-landing sequences. Significant new and advanced subsystems that were developed and/or used in combination to enable Surveyor to execute the complex terminal phase of flight were: (1) a solid-propellant main retro motor, (2) throttlable liquid-propellant vernier engines (also used for midcourse velocity correction), (3) highly sensitive velocity- and altitude-sensing radars, and (4) an automatic closed-loop guidance and control system. The first Surveyor spacecraft carried a survey television camera which, together with other engineering instrumentation, obtained in-flight and postlanding data. The complement of instruments carried on later missions included various combinations of the following additional devices: (1) a soil mechanics/surface sampler instrument for picking, digging, and handling lunar surface material; (2) an alpha scattering instrument for performing a chemical analysis of the lunar surface material; and (3) magnets attached to the spacecraft for determining magnetic properties of the soil.

Jet Propulsion Laboratory

The Use of Immersion Rigs for High Temperature Hydrogen Exposure Testing within the Nuclear Thermal Rocket Element Environmental Simulator (NTREES): Thermal Soak Rig (TSR)

The Nuclear Thermal Rocket Element Environmental Simulator (NTREES) facility was purpose constructed to perform non-nuclear evaluations of nuclear thermal propulsion (NTP) system fuel materials and structures within prototypic thermochemical environments. This system has been utilized steadily in its ability to subject test specimens to thermochemical and thermohydraulic environments simulating that of an operating nuclear rocket engine. Fission heat is simulated by induction power and experiments are conducted within a ~1000 psi pressure vessel. Hydrogen is conventionally passed through the heated fuel surrogate test specimen while pressure, temperature, and gas species data are collected at various points along the experiment. In order to test fuel and material coupon samples, a class of test apparatus named “immersion rigs” are being developed and employed to more rapidly test these smaller and more technically challenging test specimen. One example of a promising potential fuel structure, Tristructural-isotropic (TRISO) particles, presents unique challenges for testing of this type. TRISO fuel micro-particles are spheroids typically on the order of 500 – 1000 μm in diameter, and exposing a batch sample to hot hydrogen requires purpose-built special test equipment. Thusly, an immersion rig was developed and successfully demonstrated to expose ~1 g of micro-particles to hydrogen gas at temperatures and pressures relevant to NTP systems for the purpose of fuel evaluation. The rig, comprised primarily of graphite and pure tungsten, houses in its core a batch of micro-particles between pucks of porous silicon carbide (SiC). This approach permits gas flow while simultaneously retaining the particles in place. Herein is a discussion of the design, analysis, fabrication, and testing of the NTREES Thermal Soak Rig (TSR).

Space Nuclear Propulsion

Fracture‐Resistant and Thermally Insulating Ultrahigh‐Temperature Carbide Foams

Dense ultrahigh‐temperature ceramics (UHTCs) carbides are recognized as potential materials for thermal protection systems (TPS) owing to properties beyond existing structural materials’ capabilities. Recent advances in UHTCs have enabled the development of multiscale porous microstructures. Herein, it is highlighted that the porosity in UHTCs are no longer treated as a defect but as a functional property specifically tailored for thermal insulation. It is a promising solution to design and fabricate bulk UHTC foams via a freeze‐drying (FD) approach followed by calibrated pressureless spark plasma sintering. Herein, monolithic TaC and HfC UHTC foams and their composite show the partial solid–solution formation of (Ta, Hf)C with porosity ≥50%. TaC–HfC foam (≈80–92 N) shows an intermediate load‐bearing capability compared to monolithic TaC (≈120–135 N) and HfC (≈28–35 N) foams, with no evident cracking on the sample surface. The thermal conductivity of partial solid‐solution TaC–HfC foam increases up to fivefold compared to parent UHTC foams. In the results, solid solutions’ efficacy and pores’ unidirectionality in providing thermal insulation to TaC–HfC while maintaining its high‐load bearing capability are illustrated. In conclusion, the developed technique establishes a new paradigm shift in UHTCs, expanding their potential for TPS in extreme environments.

36 MATERIALS SCIENCE

Trace benzene capture by decoration of structural defects in metal–organic framework materials

Abstract Capture of trace benzene is an important and challenging task. Metal–organic framework materials are promising sorbents for a variety of gases, but their limited capacity towards benzene at low concentration remains unresolved. Here we report the adsorption of trace benzene by decorating a structural defect in MIL-125-defect with single-atom metal centres to afford MIL-125-X (X = Mn, Fe, Co, Ni, Cu, Zn; MIL-125, Ti 8 O 8 (OH) 4 (BDC) 6 where H 2 BDC is 1,4-benzenedicarboxylic acid). At 298 K, MIL-125-Zn exhibits a benzene uptake of 7.63 mmol g −1 at 1.2 mbar and 5.33 mmol g −1 at 0.12 mbar, and breakthrough experiments confirm the removal of trace benzene (from 5 to <0.5 ppm) from air (up to 111,000 min g −1 of metal–organic framework), even after exposure to moisture. The binding of benzene to the defect and open Zn(II) sites at low pressure has been visualized by diffraction, scattering and spectroscopy. This work highlights the importance of fine-tuning pore chemistry for designing adsorbents for the removal of air pollutants.

Chemistry

Concerted Electron-Ion Transport by Polyacrylonitrile Elucidated with Reactive Deep Learning Potentials

Charge transport in polymers, such as polyacrylonitrile (PAN), is crucial for electronics and energy storage. For instance, PAN can transport cations e.g., Li + , by facilitating dynamic cation-nitrile coordination in batteries. However, little is known regarding the underlying role of complex reactive polymer configurations. Herein, we develop a deep-learning potential, trained on ab initio energies and forces of nonequilibrium reactive PAN configurations, to unravel the kinetics of PAN cyclization initiated by a nucleophile (OH – dissociated from LiOH) attacking the terminal nitrile carbon. We find, based on the reaction free-energetics, rates, and charge analysis, that the nucleophile attack producing the first ring is the rate-limiting step, which subsequently triggers Li + -coupled electron transfer along the PAN backbone, causing ∼10 4 times faster sequential ring-formation of the remaining nitriles. PAN’s extended configurations, where dipolar and H-bonding interactions are minimal, enable such rapid kinetics. By validating our computational findings with IR and NMR experiments, we establish a pathway for designing reactive polymers with enhanced charge transport for energy applications.

Chahal-Crockett, Rajni [Oak Ridge National Laborat

Surface science insight note: A linear algebraic approach to elucidate native films on Fe 3 O 4 surface

Standard materials are often used to obtain spectra that can be compared to those from unknown samples. Spectra measured from these known substances are also used as a means of computing sensitivity factors to allow quantification by X-ray photoelectron spectroscopy (XPS) of less well-defined materials. Spectra from known materials also provide line shapes suitable for inclusion in spectral models which, when fitted to spectra, permit the chemical state for a sample to be assessed. Both types of information depend on isolating photoemission signals from the inelastically scattered signal. In this Insight note, technical issues associated with the use of XPS of as received Fe 3 O 4 powder sample surface are discussed. The Insight note is designed to show how linear algebraic techniques applied to data collected from a sample marketed as pure Fe 3 O 4 powder are used to verify that XPS has been performed on chemistry representative of the sample. The methods described in this Insight note can further be utilized in elucidating complex XPS data obtained from thin films formed or evolved during cyclic/non-steady use of complex (electro)catalyst surfaces, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Sparse non-Markovian Noise Modeling of Transmon-Based Multi-Qubit Operations

The influence of noise on quantum dynamics is one of the main factors preventing current quantum processors from performing accurate quantum computations. Sufficient noise characterization and modeling can provide key insights into the effect of noise on quantum algorithms and inform the design of targeted error protection protocols. However, constructing effective noise models that are sparse in model parameters, yet predictive can be challenging. In this work, we present an approach for effective noise modeling of multi-qubit operations on transmon-based devices. Through a comprehensive characterization of seven devices offered by the IBM Quantum Platform, we show that the model can capture and predict a wide range of single- and two-qubit behaviors, including non-Markovian effects resulting from spatiotemporally correlated noise sources. The model’s predictive power is further highlighted through multi-qubit dynamical decoupling demonstrations and an implementation of the variational quantum eigensolver. As a training proxy for the hardware, we show that the model can predict expectation values within a relative error of 0.5%; this is a sevenfold improvement over default hardware noise models. Through these demonstrations, we highlight key error sources in superconducting qubits and illustrate the utility of reduced noise models for predicting hardware dynamics.

open quantum systems & decoherence

Electron Microscopy Studies of Soft Nanomaterials

This review highlights recent efforts on applying electron microscopy (EM) to soft (including biological) nanomaterials. We will show how developments of both the hardware and software of EM have enabled new insights into the formation, assembly, and functioning (e.g., energy conversion and storage, phonon/photon modulation) of these materials by providing shape, size, phase, structural, and chemical information at the nanometer or higher spatial resolution. Specifically, we first discuss standard real-space two-dimensional imaging and analytical techniques which are offered conveniently by microscopes without special holders or advanced beam technology. The discussion is then extended to recent advancements, including visualizing three-dimensional morphology of soft nanomaterials using electron tomography and its variations, identifying local structure and strain by electron diffraction, and recording motions and transformation by in situ EM. On these advancements, we cover state-of-the-art technologies designed for overcoming the technical barriers for EM to characterize soft materials as well as representative application examples. Here, the even more recent integration of machine learning and its impacts on EM are also discussed in detail. With our perspectives of future opportunities offered at the end, we expect this review to inspire and stimulate more efforts in developing and utilizing EM-based characterization methods for soft nanomaterials at the atomic to nanometer length scales in academic research and industrial applications.

Imaging

Equilibrium and non-equilibrium effects in high pressure phase transformations of carbon

The behavior of carbon in the range 1–100 GPa and 1–10 kK is central to problems in planetary interiors, inertial confinement fusion targets, and high-pressure synthesis of carbon-based materials, but experiments in this regime are difficult and often provide only indirect constraints on phase behavior. As a result, phase boundary loci, structure, and limits of metastability at high pressure remain uncertain. In this work, machine-learning enhanced atomistic simulations are used to address this knowledge gap. We determine the melt line up to 100 GPa, the graphite-diamond phase boundary up to the melt line, and analyze structure of the coexisting phases. We show that the coexisting liquid evolves smoothly with pressure without evidence for a first-order liquid–liquid transition. Orientation-resolved graphite melting simulations indicate that basal-plane interfaces develop a dewetting layer and undergo layer-by-layer melting, producing kinetic hysteresis and an apparent orientation dependence of the melt line. Non-equilibrium quenches from the melt are used to construct a kinetically limiting graphite–diamond phase boundary for rapid quenches from above the melt line, and show that graphite is metastable at pressures of up to ≈ 25 GPa. These results provide bounds on equilibrium and metastable behavior in carbon relevant for interpreting high-pressure experiments and for designing synthesis pathways to specific carbon microstructures.

Lyu, Yanjun [Department of Materials Science and E

Evaluation of Howard A. Hanson Dam Juvenile Fish Passage and Survival Study: Downstream Passage and Survival (Acoustic Telemetry) (Task Final Report)

The Downstream Passage and Survival (Acoustic Telemetry) task was one of several tasks for the Evaluation of Howard A. Hanson Dam (HAHD) Juvenile Fish Passage and Survival study. For this task, a juvenile fish passage and survival study was conducted at HAHD from March 10, 2024 through June 27, 2024 for arrays in the HAHD Reservoir and Green River, and through July 9, 2024 for the arrays in the Duwamish River. Fish releases occurred over four times from March through May. Active tag (acoustic telemetry) technology was used to provide biological baseline information for the passage and survival of juvenile Puget Sound (PS) Chinook salmon (Oncorhynchus tshawytscha). Results will be used by biologists, engineers, resource managers, and regional decision-makers to inform the engineering design of the new fish passage facility (FPF) at HAHD. However, hatchery sub-yearling PS Chinook salmon of the appropriate size for tag implantation during the study period (> 95 mm in fork length, Geist et al. 2018) were unavailable. Therefore, yearling Coho salmon (O. kisutch) were used as a surrogate species for this acoustic telemetry study.

13 HYDRO ENERGY

SERENE: Saturn Enceladus Return Explorer with Nuclear Electric Propulsion

A ‘quick’ Enceladus sample return mission concept was developed based on the scientist recommendations at the recent ‘Accelerating Space Science with Nuclear Technology Workshop’. The Nuclear Electric Propulsion spacecraft assumed a follow-on 40 kWe nuclear reactor using the demonstrated 40 kWe Fission Surface Power system, expected in the early 2030s. The NEP vehicle also utilized a set of NEXT-C ion thrusters as well as planned Artemis commercial launchers. By launching the 40 kW NEP vehicle on a Starship and adding the propellants of 15 tankers, the 27t probe could be sent on a direct trajectory to Saturn (no Earth or Jupiter flybys) where NEP was used for Saturn capture, spiral down, spiral up and return to the Earth. A small lander obtained the surface Enceladus sample. Using the 40 kW NEP provided a round-trip time of only 16.5 years. A second option was more attractive from a science perspective whereby the NEP vehicle would deliver a large, 6t chemical lander to low Enceladus orbit where it would grab and return a sample to Earth (similar to the recent Orbilander design but in reverse). After deploying the lander, the NEP vehicle would stay in Saturn space performing a moon tour by orbiting four more moons and mapping the large moon of Titan. This option took slightly longer (18.5 yrs) due to the chemical return leg limitations. Both options demonstrated the agility, payload capability, and sample return goals the workshop recommended. An all-chemical option with two stages was roughly analyzed but took 21.5 yrs and required a Jupiter gravity assist.

Nuclear Electric Propulsion