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At least 145 records · Page 8

The Prevention of the Ice Hazard on Airplanes

A review of various methods to prevent ice formation and adhesion to aircraft surfaces is given. It was concluded that the adhesion of ice to a surface may be reduced somewhat by the application of certain waxes and varnishes. In the experiments described, the varnishes containing calcium stearate and calcium oleate gave the best results. In wind tunnel tests, the adhesion was further reduced by the application of these waxes and varnishes to a thin, heat insulating layer of rubber. The adhesion of ice is greatly reduced when the surface consists of a vehicle which carries an oil in sufficient quantity so that the surface of the vehicle is self lubricating. Ice may be removed from wings, struts, wires and other parts of an airplane during flight by the inflation of properly constructed pneumatic rubber members, providing that these members have been previously treated with a suitable low adhesion oil.

Geer, William C↗

A prototype urine collection device for female aircrew

Women are gaining increased access to small military cockpits. This shift has stimulated the search for practical urine containment and disposal methods for female aircrew. There are no external urine collection devices (UCD) for women that are comfortable, convenient, and leak free. We describe a prototype UCD that begins to meet this need. Materials used to make custom aviator masks were adapted to mold a perineal mask. First, a perineal cast (negative) was used to make a mold (positive). Next, a perineal mask made of wax was formed to fit the positive mold. Finally, a soft, pliable perineal mask was fabricated using the wax model as a guide. The prototype was tested for comfort, fit, and leakage. In the sitting position, less than 5 cc of urine leakage occurred with each 600 cc of urine collected. Comfort was mostly satisfactory, but ambulation was limited and the outlet design could lead to kinking and obstruction. We concluded that a perineal mask may serve as a comfortable and functional external UCD acceptable for use by females in confined environments. Changes are needed to improve comfort, fit, and urine drainage. Integration into cockpits, pressure suits, chemical defense gear, and environments where access to relief facilities is restricted is planned.

Bisson, Roger U.↗

The Effect of Jetting Parameters on the Performance of Droplet Formation for Ink-Jet Rapid Prototyping

Heinzl et al. (1985) reports that experiments in ink-jets to produce drawings or signals occurred as early as 1930. Various companies such as IBM and Pitney-Bowes have conducted extensive studies on these devices for many years. Many such reports are available in such journals as the IBM Journal of Research and Development. While numerous articles have been published on the jetting characteristics of ink and water, the literature is rather limited on fluids such as waxes (Gao & Sonin 1994) or non-water based fluids (Passow, et al. 1993). This present study extends the knowledge base to determine the performance of molten waxes in "ink-jet" type printers for rapid prototyping. The purpose of this research was to qualitatively and quantitatively study the droplet formation of a drop-on-demand ink-jet type nozzle system for rapid prototyping.

Helmer, Wayne↗

Testing and Failure Mechanisms of Ice Phase Change Material Heat Exchangers

Phase change materials (PCM) may be useful for thermal control systems that involve cyclical heat loads or cyclical thermal environments such as Low Earth Orbit (LEO) and Low Lunar Orbit (LLO). Thermal energy can be stored in the PCM during peak heat loads or in adverse thermal environments. The stored thermal energy can then be released later during minimum heat loads or in more favorable thermal environments. One advantage that PCM s have over evaporators in this scenario is that they do not use a consumable. The use of water as a PCM rather than the more traditional paraffin wax has the potential for significant mass reduction since the latent heat of formation of water is approximately 70% greater than that of wax. One of the potential drawbacks of using ice as a PCM is its potential to rupture its container as water expands upon freezing. In order to develop a space qualified ice PCM heat exchanger, failure mechanisms must first be understood. Therefore, a methodical experimental investigation has been undertaken to demonstrate and document specific failure mechanisms due to ice expansion in the PCM. A number of ice PCM heat exchangers were fabricated and tested. Additionally, methods for controlling void location in order to reduce the risk of damage due to ice expansion were investigated. This paper presents the results of testing that occurred from March through September of 2010 and builds on testing that occurred during the previous year.

Leimkuehler, Thomas O.↗

Testing and Failure Mechanisms of Ice Phase Change Material Heat Exchangers

Phase change materials (PCM) may be useful for thermal control systems that involve cyclical heat loads or cyclical thermal environments such as specific spacecraft orientations in Low Earth Orbit (LEO) and low beta angle Low Lunar Orbit (LLO). Thermal energy can be stored in the PCM during peak heat loads or in adverse thermal environments. The stored thermal energy can then be released later during minimum heat loads or in more favorable thermal environments. One advantage that PCM s have over evaporators in this scenario is that they do not use a consumable. The use of water as a PCM rather than the more traditional paraffin wax has the potential for significant mass reduction since the latent heat of formation of water is approximately 70% greater than that of wax. One of the potential drawbacks of using ice as a PCM is its potential to rupture its container as water expands upon freezing. In order to develop a space qualified ice PCM heat exchanger, failure mechanisms must first be understood. Therefore, a methodical experimental investigation has been undertaken to demonstrate and document specific failure mechanisms due to ice expansion in the PCM. A number of ice PCM heat exchangers were fabricated and tested. Additionally, methods for controlling void location in order to reduce the risk of damage due to ice expansion were investigated. This paper presents the results of testing that occurred from March through September of 2010 and builds on testing that occurred during the previous year.

Leimkuehler, Thomas O.↗

Covering a Crucible with Metal Containing Channels

In a procedure that partly resembles the lost-wax casting process, a crucible made of a brittle material (ceramic, quartz, or glass) is covered with a layer of metal containing channels. The metal cover and the channels can serve any or all of several purposes, depending upon the application: Typically, the metal would serve at least partly to reinforce the crucible. The channels could be used as passages for narrow objects that could include thermocouples and heat-transfer strips. Alternatively or in addition, channels could be used as flow paths for liquid or gaseous coolants and could be positioned and oriented for position- or direction-selective cooling. In some cases, the channels could be filled with known gases and sealed so that failure of the crucibles could be indicated by instruments that detect the gases. The process consists of three main steps. In the first step, a pattern defining the channels is formed by wrapping or depositing a material in the desired channel pattern on the outer surface of the crucible. The pattern material can be a plastic, wax, low-ash fibrous material, a soluble material, or other suitable material that can subsequently be removed easily. In a proof-of-concept demonstration (see figure), the crucible was an alumina cylinder and the mold material was plastic tie-down tape. In the second step, the patterned crucible is coated with metal. In one variation of the second step, a very thin layer containing or consisting of an electrically conductive material (e.g., gold, silver, or carbon) is painted or otherwise deposited on the mold-covered crucible, then the covering metal required for the specific application is electrodeposited on the very thin conducting layer. In another variation of the second step, the metal coat is formed by chemical vapor deposition. In the proof-of-concept demonstration, a layer of nickel 0.003 in. ( 0.08 mm) thick was electrodeposited. In the third step, the patterned material is removed. This is generally done by heating the crucible assembly until the patterned material melts and runs out, vaporizes, and/or decomposes to an ash, leaving the channels. Alternatively, if the patterned material is soluble, it can be removed by use of a suitable solvent. In the proof-of-concept demonstration, the tape was burned away by heating the assembly to a temperature of 600 C.

Grugel, Richard N.↗

Curved-Focal-Plane Arrays Using Deformed-Membrane Photodetectors

A versatile and simple approach to the design and fabrication of curved-focal-plane arrays of silicon-based photodetectors is being developed. This approach is an alternative to the one described in "Curved Focal-Plane Arrays Using Back- Illuminated High-Purity Photodetectors" (NPO-30566), NASA Tech Briefs, Vol. 27, No. 10 (October 2003), page 10a. As in the cited prior article, the basic idea is to improve the performance of an imaging instrument and simplify the optics needed to obtain a given level of performance by making an image sensor (in this case, an array of photodetectors) conform to a curved focal surface, instead of designing the optics to project an image onto a flat focal surface. There is biological precedent for curved-focal-surface designs: retinas - the image sensors in eyes - conform to the naturally curved focal surfaces of eye lenses. The present approach is applicable to both front-side- and back-side-illuminated, membrane photodetector arrays and is being demonstrated on charge-coupled devices (CCDs). The very-large scale integrated (VLSI) circuitry of such a CCD or other array is fabricated on the front side of a silicon substrate, then the CCD substrate is attached temporarily to a second substrate for mechanical support, then material is removed from the back to obtain the CCD membrane, which typically has a thickness between 10 and 20 m. In the case of a CCD designed to operate in back-surface illumination, delta doping can be performed after thinning to enhance the sensitivity. This approach is independent of the design and method of fabrication of the front-side VLSI circuitry and does not involve any processing of a curved silicon substrate. In this approach, a third substrate would be prepared by polishing one of its surfaces to a required focal-surface curvature. A CCD membrane fabricated as described above would be pressed against, deformed into conformity with, and bonded to, the curved surface. The technique used to press and bond the CCD membrane would depend on the nature of the supporting material (see figure). For example, if the third substrate were made of quartz frit, the substrate would be prepared by suffusing it with epoxy. Then one would take advantage of the porosity of the frit by applying a partial vacuum to the opposite surface of the frit, causing atmospheric pressure to push the CCD membrane against the curved surface. The curing of the epoxy would bond the CCD membrane to the curved surface. Alternatively, if the third substrate were made of a nonporous material, the curved substrate surface would be prepared by coating it with a wax or an uncured epoxy. The CCD membrane would be pressed against the coated, curved surface by use of a suitably pressurized balloon. The CCD membrane would then become bonded to the curved surface by curing of the epoxy or freezing of the wax.

Nikzad, Shouleh↗

Experimental Investigation of Ice Phase Change Material Heat Exchangers

Phase change materials (PCM) may be useful for spacecraft thermal control systems that involve cyclical heat loads or cyclical thermal environments. Thermal energy can be stored in the PCM during peak heat loads or in adverse thermal environments. The stored thermal energy can then be released later during minimum heat loads or in more favorable thermal environments. This can result in a decreased turndown ratio for the radiator and a reduced system mass. The use of water as a PCM rather than the more traditional paraffin wax has the potential for significant mass reduction since the latent heat of formation of water is approximately 70% greater than that of wax. One of the potential drawbacks of using ice as a PCM is its potential to rupture its container as water expands upon freezing. In order to develop a space qualified ice PCM heat exchanger, failure mechanisms must first be understood. Therefore, a methodical experimental investigation has been undertaken to demonstrate and document specific failure mechanisms due to ice expansion in the PCM. A number of ice PCM heat exchangers were fabricated and tested. Additionally, methods for controlling void location in order to reduce the risk of damage due to ice expansion were investigated. This paper presents an overview of the results of this investigation from the past three years.

Leimkuehler, Thomas O.↗

Experimental Investigation of Ice Phase Change Material Heat Exchangers

Phase change materials (PCM) may be useful for spacecraft thermal control systems that involve cyclical heat loads or cyclical thermal environments. Thermal energy can be stored in the PCM during peak heat loads or in adverse thermal environments. The stored thermal energy can then be released later during minimum heat loads or in more favorable thermal environments. This can result in a decreased turndown ratio for the radiator and a reduced system mass. The use of water as a PCM rather than the more traditional paraffin wax has the potential for significant mass reduction since the latent heat of formation of water is approximately 70% greater than that of wax. One of the potential drawbacks of using ice as a PCM is its potential to rupture its container as water expands upon freezing. In order to develop a space qualified ice PCM heat exchanger, failure mechanisms must first be understood. Therefore, a methodical experimental investigation has been undertaken to demonstrate and document specific failure mechanisms due to ice expansion in the PCM. A number of ice PCM heat exchangers were fabricated and tested. Additionally, methods for controlling void location in order to reduce the risk of damage due to ice expansion were investigated. This paper presents an overview of the results of this investigation from the past three years.

Leimkuehler, Thomas O.↗

Fabrication of an Absorber-Coupled MKID Detector

Absorber-coupled microwave kinetic inductance detector (MKID) arrays were developed for submillimeter and far-infrared astronomy. These sensors comprise arrays of lambda/2 stepped microwave impedance resonators patterned on a 1.5-mm-thick silicon membrane, which is optimized for optical coupling. The detector elements are supported on a 380-mm-thick micro-machined silicon wafer. The resonators consist of parallel plate aluminum transmission lines coupled to low-impedance Nb microstrip traces of variable length, which set the resonant frequency of each resonator. This allows for multiplexed microwave readout and, consequently, good spatial discrimination between pixels in the array. The transmission lines simultaneously act to absorb optical power and employ an appropriate surface impedance and effective filling fraction. The fabrication techniques demonstrate high-fabrication yield of MKID arrays on large, single-crystal membranes and sub-micron front-to-back alignment of the micro strip circuit. An MKID is a detector that operates upon the principle that a superconducting material s kinetic inductance and surface resistance will change in response to being exposed to radiation with a power density sufficient to break its Cooper pairs. When integrated as part of a resonant circuit, the change in surface impedance will result in a shift in its resonance frequency and a decrease of its quality factor. In this approach, incident power creates quasiparticles inside a superconducting resonator, which is configured to match the impedance of free space in order to absorb the radiation being detected. For this reason MKIDs are attractive for use in large-format focal plane arrays, because they are easily multiplexed in the frequency domain and their fabrication is straightforward. The fabrication process can be summarized in seven steps: (1) Alignment marks are lithographically patterned and etched all the way through a silicon on insulator (SOI) wafer, which consists of a thin silicon membrane bonded to a thick silicon handle wafer. (2) The metal microwave circuitry on the front of the membrane is patterned and etched. (3) The wafer is then temporarily bonded with wafer wax to a Pyrex wafer, with the SOI side abutting the Pyrex. (4) The silicon handle component of the SOI wafer is subsequently etched away so as to expose the membrane backside. (5) The wafer is flipped over, and metal microwave circuitry is patterned and etched on the membrane backside. Furthermore, cuts in the membrane are made so as to define the individual detector array chips. (6) Silicon frames are micromachined and glued to the silicon membrane. (7) The membranes, which are now attached to the frames, are released from the Pyrex wafer via dissolution of the wafer wax in acetone.

Brown, Ari↗

Mechanical and Combustion Performance of Multi-Walled Carbon Nanotubes as an Additive to Paraffin-Based Solid Fuels for Hybrid Rockets

Paraffin-based solid fuels for hybrid rocket motor applications are recognized as a fastburning alternative to other fuel binders such as HTPB, but efforts to further improve the burning rate and mechanical properties of paraffin are still necessary. One approach that is considered in this study is to use multi-walled carbon nanotubes (MWNT) as an additive to paraffin wax. Carbon nanotubes provide increased electrical and thermal conductivity to the solid-fuel grains to which they are added, which can improve the mass burning rate. Furthermore, the addition of ultra-fine aluminum particles to the paraffin/MWNT fuel grains can enhance regression rate of the solid fuel and the density impulse of the hybrid rocket. The multi-walled carbon nanotubes also present the possibility of greatly improving the mechanical properties (e.g., tensile strength) of the paraffin-based solid-fuel grains. For casting these solid-fuel grains, various percentages of MWNT and aluminum particles will be added to the paraffin wax. Previous work has been published about the dispersion and mixing of carbon nanotubes.1 Another manufacturing method has been used for mixing the MWNT with a phenolic resin for ablative applications, and the manufacturing and mixing processes are well-documented in the literature.2 The cost of MWNT is a small fraction of single-walled nanotubes. This is a scale-up advantage as future applications and projects will require low cost additives to maintain cost effectiveness. Testing of the solid-fuel grains will be conducted in several steps. Dog bone samples will be cast and prepared for tensile testing. The fuel samples will also be analyzed using thermogravimetric analysis and a high-resolution scanning electron microscope (SEM). The SEM will allow for examination of the solid fuel grain for uniformity and consistency. The paraffin-based fuel grains will also be tested using two hybrid rocket test motors located at the Pennsylvania State University s High Pressure Combustion Lab.

Larson, Daniel B.↗

Microbial Lipid and C Isotopic Biosignatures of a Unique Community at Grand Prismatic Spring, Yellowstone National Park

The microbial communities found in modern hot springs are considered analogs to ones that may have existed in hydrothermal systems on the early Earth and possibly Mars. Our goal was to characterize the microbial biosignatures and to assess the preservation of organic matter in the silica-depositing Grand Prismatic Spring in Yellowstone National Park. This study combines 16S rRNA surveys, lipid biomarkers, and C isotopes to query, "Who's there and what are they doing?" On the edge of the approximately 90 m diameter blue vent pool (56.1 C, pH 8.5), a floating green streamer community grew over a benthic pink community. The membrane lipids in the green streamers and pink mat were composed of unusual ester-linked fatty acids, indicating the presence of novel bacterial groups. In particular, we discovered a series of 2-methyl and 2,X-dimethyl phospholipid fatty acids (C18-22). We are attempting to use the 16S rRNA surveys to link these compounds to source organisms. Wax esters, biomarkers for Chloroflexi, were present in both communities, but displayed different profiles. A higher proportion of branched wax esters were found in the green streamers, and were associated with a relatively high concentration of long-chain di- and trienes (C29-31). This suggests that Chloroflexus primarily grew in the green streamers, while a pink mat of Roseiflexus grew on the sinter substrate underneath. Cyanobacterial alkanes were found in the green streamers (n-C17, 7-, 6- and 5-monomethyl-C17, 7,11-dimethyl-C17, n-C19, n-C19:1). We also detected a series of monoalkylglycerylethers and geologically relevant hopanoids in both communities. Carbon isotope analyses indicated that Chloroflexus was growing photoheterotrophically using cyanobacterial photosynthate. Roseiflexus also traditionally grows photoheterotrophically, but the C isotopic signatures of the lipids in the pink mat were approximately 10 %0 lighter than the cyanobacterial and Chloroflexus lipids, indicating a potentially novel metabolic mechanism or prior secondary reworking of substrates before reaching Roseiflexus. This arrangement of Synechococcus-Chloroflexus green streamers floating over a benthic pink community of Roseiflexus is different from the classical laminated Synechococcus-Chloroflexi mats at Octopus Hot Spring.

Jahnke, Linda↗

Phase Change Material Thermal Power Generator

An innovative modification has been made to a previously patented design for the Phase Change Material (PCM) Thermal Generator, which works in water where ocean temperature alternatively melts wax in canisters, or allows the wax to re-solidify, causing high-pressure oil to flow through a hydraulic generator, thus creating electricity to charge a battery that powers the vehicle. In this modification, a similar thermal PCM device has been created that is heated and cooled by the air and solar radiation instead of using ocean temperature differences to change the PCM from solid to liquid. This innovation allows the device to use thermal energy to generate electricity on land, instead of just in the ocean.

Jones, Jack A.↗

Design and Development of a Sub-Zero Fluid System for Demonstration of Orion's Phase Change Material Heat Exchangers on ISS

NASA's Orion Multipurpose Crew Vehicle's Exploration Mission 2 is expected to loiter in Lunar orbit for a relatively long period of time. In low Lunar orbit (LLO) the thermal environment is cyclic - extremely cold in the eclipse and relatively hot near the subsolar point. Phase change material heat exchangers (PCM HXs) are the best option for long term missions in these environments. A PCM HX allows a vehicle to store excess waste energy by thawing a phase change material such as n-pentadecane wax. During portions of the orbit that are extremely cold, the excess energy is rejected, resolidifying the wax. Due to the inherent risk of compromising the heat exchanger during multiple freeze and thaw cycles, a unique payload was designed for the International Space Station to test and demonstration the functions of a PCM HX. The payload incorporates the use of a pumped fluid system and a thermoelectric heat exchanger to promote the freezing and thawing of the PCM HX. This paper shall review the design and development undertaken to build such a system.

Sheth, Rubik B.↗

Superconducting Vacuum-Gap Crossovers for High Performance Microwave Applications

The design and fabrication of low-loss wide-bandwidth superconducting vacuum-gap crossovers for high performance millimeter wave applications are described. In order to reduce ohmic and parasitic losses at millimeter wavelengths a vacuum gap is preferred relative to dielectric spacer. Here, vacuum-gap crossovers were realized by using a sacrificial polymer layer followed by niobium sputter deposition optimized for coating coverage over an underlying niobium signal layer. Both coplanar waveguide and microstrip crossover topologies have been explored in detail. The resulting fabrication process is compatible with a bulk micro-machining process for realizing waveguide coupled detectors, which includes sacrificial wax bonding, and wafer backside deep reactive ion etching for creation of leg isolated silicon membrane structures. Release of the vacuum gap structures along with the wax bonded wafer after DRIE is implemented in the same process step used to complete the detector fabrication. 

superconductor↗

High-Resolution Potassium Observations of the Lunar Exosphere

We observed lunar exospheric potassium D1 (7,698.9646 Å) emissions using a high-spectral resolution Fabry-Perot spectrometer in 2014. We present the first potassium line profile measurements, which are representative of the potassium velocity distribution. Inferred temperatures are greater during the waxing gibbous phase, 1920 ± 630 K and lower at waning gibbous phase, 980 ± 200 K. Exosphere models suggest that the measured line widths are a combination of photon-stimulated desorption and impact vaporization sources. The relative potassium emission intensity decreases by ∼2.5 between lunar phases 80◦ and 30◦ and is brightest off the northwest limb near the Aristarchus crater, which is a potassium-rich surface region. Additionally, the emissions off the northern limb are brighter than the southern limb. The intensity decrease and the greater line width during the waxing gibbous versus the waning gibbous phase suggests a dawn-dusk asymmetry.

Rosborough, S. A.↗

Mars Ascent Vehicle Hybrid Propulsion Configuration

As part of a Mars Sample Return (MSR) campaign, two Mars Ascent Vehicle (MAV) configurations have been designed in parallel. Each ascent vehicle configuration has a different propulsion system which ultimately leads to two unique vehicle designs. As part of a Preliminary Architecture Assessment (PAA), these vehicle designs were developed to the same level of maturity in order to inform the selection of one of the vehicles as the point of departure design for the campaign. The selection will be made in November 2019. The initial MSR architecture called for a hybrid-based propulsion MAV. This type of propulsion system calls for a solid wax motor that would utilize liquid MON-25 as an oxidizer. Hybrid rocket propulsion allows for more flexibility than traditional solid or liquid propulsion options, and typically benefits from the advantages of both. A hybrid motor can be throttled and shut down easily, and avoids significant risk in manufacturing and handling. On a theoretical level, hybrid motors perform at a higher specific impulse (Isp) than solid motors. The primary disadvantage of hybrid motors comes from additional complexity and significantly less flight heritage and low Technology Readiness Level (TRL). This paper describes the design of the hybrid propulsion configuration. An additional paper will be published describing the design of the solid propulsion configuration1. The hybrid propulsion configuration MAV was developed in 2019 by NASA Marshall Space Flight Center (MSFC) in association with NASA Jet Propulsion Laboratory (JPL). It features a Single Stage to Orbit (SSTO) design with an SP7A solid wax fuel and MON-25 liquid oxidizer. The liquid portion of the vehicle allows for a Liquid Injection Thrust Vector Controller (LITVC) as well as hypergolic propellant additives for ignition. The vehicle was designed to deliver approximately 0.31kg of Martian geological samples to a circular orbit at Mars of 343km at a 25o inclination. Although hybrid propulsion in general has been used on launch vehicles in the past, the integrated vehicle subsystems that operate in conjunction with these propulsion elements do not typically operate in a Martian environment, which in this application can get as cold as -40oC. The PAA advanced the maturity of these subsystems by performing detailed design and analysis on the vehicle with respect to structures and mechanisms, Guidance/Navigation/Control (GNC) systems, avionics, Reaction Control System (RCS), LITVC, thermal environments, and advanced Computational Fluid Dynamics (CFD). This paper will summarize the results of these studies.

Yaghoubi, Darius↗

Probing Carbon Mineralization Mechanisms in Pore and Bulk Fluids by Harnessing Architected Calcium Silicates

The ability to synthesize materials with well-controlled pore structures gives us unprecedented control over probing fluid interactions with reactive interfaces and advancing calibrated insights into coupled chemo-morphological interactions. One of the primary challenges in developing crystalline silicate materials lies in achieving ordered pore structures. Existing approaches of producing amorphous mesoporous metal silicates via sol–gel methods and heat-treatment of these materials to produce crystalline phases cause the pore structures in the amorphous phases to collapse. To overcome this challenge, carbon coating of amorphous mesoporous calcium silicate particles is carried out to retain the pore structure, while the material is heated to produce crystalline calcium silicate with calcium sulfate inclusions. The pore diameter in these materials is about 3.9 nm, with a surface area and a pore volume of 28.75 m 2 /g and 0.092 cm 2 /g, respectively. The mechanisms of carbon mineralization are investigated by reacting architected calcium silicate with 1 M Na 2 CO 3 and monitoring the evolution in the structural phases using operando wide-angle X-ray scattering (WAXS) measurements. Formation of stable calcium carbonate polymorph or calcite and metastable calcium carbonate polymorph or vaterite in pore and bulk fluids, respectively, resulting from the reaction between Na 2 CO 3 and CaSiO 3 , are noted. The mechanisms associated with carbon mineralization are delineated using ReaxFF molecular dynamics (MD) simulations. The surface dissolution reaction is initiated by 2H + ions that replace a Ca 2+ ion in the Ca–silicate matrix. Ca 2+ ions in the solution initially react with water to form calcium hydroxide and eventually form calcium (bi)carbonate. A slow and gradual increase in the formation of sodium silicate in the solution resulting from the reactions of silicic acid or the silicon dioxide reaction with sodium hydroxide is noted. When carbon mineralization occurs in environments bearing interfacial fluids, calcite is the dominant calcium carbonate polymorph, as determined using experiments with pore fluids and molecular-scale simulations. In conclusion, these studies provide fundamental insights into the mechanisms underlying the carbon mineralization of calcium silicate informed by experiments and molecular-scale simulations.

Calcium↗