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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 505 records · Page 28

Photocatalytic Nitrate Destruction Studies in Complex Environments

One method for denitration of nitric acid used in nuclear facilities is to use formic acid as a reductant. The major problem with formic acid denitration is an induction period of varying duration that may result in excessive accumulation of formic acid at the reaction onset. This accumulation poses an off-gas process control issue. In this talk, we will describe the use of titaniabased photocatalysts for the treatment of nitric acid and nitrate wastes. We find that the photocatalytic process is a simple and straightforward method to completely destroy nitrate ions at room temperature without any initiation period.

nanomaterials↗

Infrared triggered dwell and active cooling thermal control effects on microstructural uniformity in DED

Directed Energy Deposition (DED) offers rapid large scale fabrication, but difficulty in delivering consistent microstructures and properties hinders the use of DED fabricated components in safety or performance critical applications. Variability stems from the complex thermal cycles generated by the toolpath used to print the required geometry. Several practical methods have become established in DED to regulate overheating, such as active cooling of the baseplate structure or the use of an infrared camera to inject interlayer pauses to ensure the top layer of the component cools to a set temperature, which have been shown to affect microstructure. However, no critical assessment has been performed as to how effective these controls are in promoting microstructural uniformity in the context of complex layer timing commonly generated by non-prismatic geometries. Here we show how controls influence the thermal field, phase transformations, and dynamic annealing of a low-temperature transformation steel using infrared imaging and operando neutron diffraction. Counterintuitively, common thermal homogenization process controls can reduce microstructural uniformity because these approaches stabilize peak temperature while overlooking temperatures near the solid-state phase transformation fronts. Instead, the cyclic reheating induces spatially-variant dynamically annealed regions which can be modulated via control parameters. We show that these controls have spatially linked effects centimeters away from the active weld, which implies that microstructure control must co-optimize thermal input across many subsequent layers. In conclusion, our results demonstrate the pressing need for higher order controls that integrate predictive elements of simulation data to stabilize printed properties for future qualification of DED components.

Directed energy deposition↗

A 1D Model for Nucleation of Ice From Aerosol Particles: An Application to a Mixed‐Phase Arctic Stratus Cloud Layer

Abstract Mixed‐phase clouds (MPCs) have been identified as significant contributors to uncertainties in climate projections, attributable to model representation of processes controlling the formation and loss of supercooled water droplets and ice particles from the atmosphere. Arctic MPCs are commonly widespread and long‐lived, with sustained ice crystal formation processes that challenge current understanding. This study examines the ice‐nucleating particle (INP) reservoir dynamics governing immersion‐mode heterogeneous freezing in an observed case of Arctic MPCs using a simplified 1D aerosol‐cloud model. The model setup includes prescribed dynamical forcings and thermodynamic profiles, and represents INPs as multicomponent and polydisperse particle size distributions. Diagnostic and prognostic approaches to immersion freezing parameterization are compared, including time‐independent (singular) number‐ and surface area‐based descriptions and a time‐dependent description following classical nucleation theory (CNT). The choice of freezing parameterization defines the size of the INP reservoir. The CNT‐based description yields an orders of magnitude larger INP reservoir than the singular parameterizations, which is the dominant factor for sustained ice crystal formation. The efficiency of the freezing process and cloud cooling are of secondary importance. A diagnostic treatment neglecting INP loss is only accurate when the INP reservoir size is large and INP depletion weak. Since a larger INP reservoir sustains ice crystal formation substantially longer, and ice water path scales with ice crystal concentrations for the conditions considered, resolving the source of differences in INP reservoir dynamics due to model implementation is a high priority for advancing climate model physics.

54 ENVIRONMENTAL SCIENCES↗

Roll-to-Roll Advanced Materials Manufacturing DOE Lab Consortium - FY16 Annual Report

A DOE laboratory consortium comprised of ORNL, ANL, NREL and LBNL, coordinating with Kodak’s Eastman Business Park (Kodak) and other selected industry partners, was formed to address enhancing battery electrode performance and R2R manufacturing challenges. The objective of the FY 2016 seed project was to develop a materials genome synthesis process amenable to R2R manufacturing and to provide modeling, simulation, processing, and manufacturing techniques that demonstrate the feasibility of process controls and scale-up potential for improved battery electrodes. The research efforts were to predict and measure changes and results in electrode morphology and performance based on process condition changes; to evaluate mixed, active, particle size deposition and drying for novel electrode materials; and to model various process condition changes and the resulting morphology and electrode performance.

36 MATERIALS SCIENCE↗

The Early Career Research Program Annual Progress Report: Using ARM Data and Multiscale Models to Advance the Understanding of Liquid-Phase Cloud Response to Aerosol Perturbation over Ocean and Land

This project aims to study the response of liquid-phase clouds to aerosol perturbation and reduce the related uncertainty in the DOE Earth system model. Specific objectives include: Objective 1: Quantify the aerosol indirect effect on liquid-phase clouds using ARM observations and satellite retrievals while constraining the confounding large-scale conditions; Objective 2: Harness LES case studies, untangle the confounding meteorological impacts on the observed aerosol indirect effect, and identify key cloud processes controlling the net radiative forcing of aerosol-cloud interactions at different spatiotemporal scales; Objective 3: Evaluate the aerosol indirect effect on liquid-phase clouds with process-level understanding in E3SM multiscale model configurations.

54 ENVIRONMENTAL SCIENCES↗

EMSL Community Science Campaign Meeting: Critical Minerals and Materials - Rhizo Critical Campaign Breakout Session Report Summary

The “Critical Minerals Biogeochemistry in the Rhizosphere – Ultramafic Soils (Rhizo Critical)” campaign breakout (BO) session was organized to identify major knowledge gaps and fundamental research needs in rhizosphere microbiology and geochemistry that, if addressed, could transform our ability to recover critical minerals from ultramafic soil systems. We sought to identify significant challenges that must be surmounted in the pursuit of deeper science knowledge. Our ultimate goal is to understand this landscape well enough to identify and prioritize opportunities for EMSL to make the greatest impact with Environmental Transformations and Interactions (ETI) science area research campaigns focused on the biogeochemical processes controlling the behavior of critical minerals and materials in the rhizosphere. The increasing demand for critical materials and minerals (CMM) in the U.S. has heightened interest in low-grade ores with much attention on ultramafic soils, which contain valuable metals such as nickel (Ni), chromium (Cr), manganese, cobalt (Co), and copper (Lee et al., 2025; DOE CMM Report, 2023) used in advanced battery, magnet, wiring and wind turbines, and stainless steel technologies. Metal hyperaccumulating plants grown in ultramafic soils can extract economically valuable concentrations of CMMs through the process of phytomining. This technology has evolved from phytoremediation, which involves using plants to cleanse contaminated environments by removing, detoxifying, or stabilizing pollutants like metals and organic compounds. Hyperaccumulator plants are capable of storing metals in their living tissues at concentrations hundreds to thousands of times higher than those found in 'normal' plants. For instance, while the average concentration of Ni in the dry matter of plants growing in typical soils is usually less than 5 µg g?¹, Ni hyperaccumulation is defined by concentrations exceeding 1,000 µg g?¹ (Corzo Remigio et al., 2020; Reeves et al., 2018). Phytomining research has primarily focused on Ni (Rylott and van der Ent, 2025), for which the U.S. has very limited conventional mines in operation. Most soils typically contain Ni concentrations ranging from 7 to 50 mg kg-1, whereas serpentine soils exhibit significantly higher levels, with Ni content often ranging between 700 and 8,000 mg kg-1 (Sobczyk et al., 2017). While more than 500 plant species in over 50 different families have been identified as Ni hyperaccumulators (Kidd et al., 2018), Ni phytomining (and phytominng in general) remains largely untested because most studies are short-term, small-scale, and conducted under simplified or artificially enriched conditions, so they fail to capture the low metal concentrations, environmental variability, and management constraints that would be needed for a field-scale demonstration. Few hyperaccumulator species have been validated as true “metal crops,” and their biomass production, stress tolerance, and rooting characteristics are usually too poor to yield economically meaningful metal outputs. Critically, the basic mechanisms of metal uptake, transport, and sequestration, especially as shaped by belowground processes such as root exudation, rhizosphere chemistry, and root–microbe interactions that control metal mobility and bioavailability (Montreemuk et al., 2023; Kidd et al., 2018; Durand et al., 2023; Alford et al., 2010), are still only partially understood, and downstream metal recovery from biomass is rarely optimized. Because these limitations stem from gaps in fundamental knowledge rather than from a failure of the concept itself (Rylott and van der Ent, 2025; van der Ent et al., 2015), there is a strong need for basic science that dissects plant metal homeostasis, rhizosphere and microbial processes, and their integration with soil chemistry and process engineering to design more robust, scalable phytomining systems.

Ahkami, Amirhossein↗

ITEAM - An international mechanistic approach to modeling glass behavior over geologic time scales - 15527

Vitrification is a common worldwide solution for radioactive waste immobilization. Although the excellent chemical durability of glass has been demonstrated in ancient man-made and natural analogues, the lack of an international consensus on a glass corrosion rate law limits the application of glass in high-level waste repository performance models. The contributions of physical and chemical processes controlling the long-term glass dissolution rate in geologic disposal remain uncertain resulting in this non-consensus. A thorough mechanistic understanding of waste form durability in geologic environments would improve public and regulator confidence. In addition, this understanding could lead to cost savings if it becomes possible to take credit for the true durability of the waste form itself in system evaluations rather than requiring expensive engineered barrier systems. To this end, five nations (US, UK, France, Japan, and Belgium) have joined together to formulate a joint plan for collaborative research into the mechanisms controlling the long-term corrosion of glass. Over the last five years, the coordinated research performed by these countries has produced a new level of understanding about the glass corrosion mechanisms, specifically as they apply to glasses similar in composition to the French R7T7 glass. Some recent results are presented as they relate to several mechanisms that are thought to control glass alteration at long time periods. It is important to understand the effects of each particular mechanism on the overall radionuclide release and the relative importance of each process model to the performance assessment calculation. In addition, a new series of experiments calls out potential sources of error due to the use of irregular shapes (such as crushed glass powder) in dissolution experiments. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Using the optimal combined index weight ratio to improve the probability of anomaly detection in big area additive manufacturing

Big Area Additive Manufacturing (BAAM) of composites requires significant time, energy, and material, so it is critical to reduce production inefficiencies to make functional parts without multiple iterations. Statistical process control coupled with Principal Component Analysis (PCA) is a powerful technique that provides a quick, computationally inexpensive, and intuitive way for operators to detect defects that form in a manufacturing process without massive datasets. Recently, a combined index that is a weighted sum of the Hotelling's T 2 and squared residual error statistics has been proposed that can be monitored in one chart, improving interpretation accuracy and simplicity. However, the literature does not offer a formal method to optimise the weights. Here, we introduce two new approaches to the traditional weight selection approach using simulated and BAAM image data. Approach 1 uses a theoretically motivated optimum inspired by probabilistic principal component analysis. Approach 2 systematically varies the ratio of the weights to find the optimum. We show that approach 1 delivers optimal anomaly detection performance in select cases while approach 2 fares better in practice. Surprisingly, we also show that choosing a more complex PCA model has a minimal negative impact on anomaly detection performance compared to a more simplistic model.

3-dimensional printing↗

High Performance Computing to Quantify the Evolution of Microscopic Concentration Gradients During Flash Processing

During the Flash process, the cross section of a plain-carbon or a low-alloy steel is austenitized through rapid heating and transformed on rapid cooling to a predominantly martensite + bainite structure with small amounts of retained austenite. Unlike conventional heat treating, homogeneity is intentionally avoided during Flash processing of steels. The Flash process assembly consists of a pair of rolls that transfer the steel sheets through the heating and cooling stage of the thermal cycle. The initial microstructure of the steel consists of ferrite (body-centered cubic iron) + carbide ((Fe,X)mCn) mixture. The heating rate through the peak temperature is a function of temperature and reaches a peak of about 300-400°C/s and the cooling rate has a maximum value of 3,000-4,000°C/s. The on-heating phase transformations include carbide dissolution, austenite (face-centered cubic iron) nucleation and growth, and diffusion of carbon and other substitutional elements in the steel. The on-cooling phase transformations include formation of martensite (body-centered tetragonal phase containing supersaturated solute) and bainite (ferrite plates with or without fine carbides). In this project, the focus is on Fe-C-Cr steels that are currently Flash processed for armor applications. The modeling effort proposed here will help optimize the Flash thermal cycle for these low alloy steels to achieve the target performance, which is an ongoing effort at SFP Works. A significant feature of Flash processed Fe-C-Cr steels is the presence of scatter in the through-thickness in the sheet. The variability in hardness results from a variability in the bainite + martensite microstructure that is sensitive to the local chemical concentration of C and Cr. Such a chemical inhomogeneity is intentionally obtained in the Flash process. Although such a microstructural gradient is presumably responsible for the exceptional properties of the Flash processed steel, it is very important to quantify the gradients as a function of Flash variabilities in processing parameters and the input microstructure. Understanding the mechanistic pathway that leads to microstructural gradients could be ground-breaking and instrumental for achieving better process control and optimized microstructural state to meet application-specific strength-ductility requirements. Since the final microstructure depends on setting up precise solute concentration gradients through a rapid heating process, and transforming these regions into various phases, it is important to understand how small changes in steel chemistry, input microstructure (carbide size and distribution), and process variables (Flash thermal cycle) will impact the solute concentration gradients.

97 MATHEMATICS AND COMPUTING↗

Evidence of anatase intergrowths formed during slow cooling of reduced ilmenite

Controlling the parameters during synthetic rutile production is essential to minimize production costs and ensure final product quality. Powder X-ray diffraction (PXRD) is typically used within the industry to guide process control. This work investigated the source of unusual features observed in the PXRD pattern of a slow-cooled reduced ilmenite (RI), which were not observed for a rapid-cooled RI. For the slow-cooled RI, the 002 peak of M 3 O 5 (anosovite) had disappeared and the intensity of the $ \overline{2}03\ $, 203, 204 and 402 peaks had decreased significantly compared to the pattern for the rapid-cooled RI. Using transmission electron microscopy, selected area electron diffraction (SAED) and pair distribution function (PDF) analysis, the authors attribute these features to M 3 O 5 –anatase intergrowth formation, which causes a loss in long-range order along the M 3 O 5 c axis. Strong diffuse streaking in the SAED patterns was also evident and supported the presence of disordered intergrowths from the oxidation of M 3 O 5 . PDF analysis showed a significant improvement in the fit to the data for the slow-cooled RI, primarily in the <17 Å region, when anatase was added to the PDF model. The results presented here highlight the importance of the reduction and cooling stages during the formation of these industrially relevant RI minerals, which may be used to direct the production process and final TiO 2 product quality.

D'Angelo, Anita M. (ORCID:0000000230685288)↗

Modeling the Impact of Riparian Hollows on River Corridor Nitrogen Exports

Recent studies in snowmelt-dominated catchments have documented changes in nitrogen (N) retention over time, such as declines in watershed exports of N, though there is a limited understanding of the controlling processes driving these trends. Working in the mountainous headwater East River Colorado watershed, we explored the effects of riparian hollows as N-cycling hotspots and as important small-scale controls on observed watershed trends. Using a modeling-based approach informed by remote sensing and in situ observations, we simulated the N-retention capacity of riparian hollows with seasonal and yearly hydrobiogeochemical perturbations imposed as drivers. We then implemented a scaling approach to quantify the relative contribution of riparian hollows to the total river corridor N budget. We found that riparian hollows primarily serve as N sinks, with N-transformation rates significantly limited by periods of enhanced groundwater upwelling and promoted at the onset of rainfall events. Given these observed hydrologic controls, we expect that the nitrate ( NO 3 - ) sink capacity of riparian hollows will increase in magnitude with future climatic perturbations, specifically the shift to more frequent rainfall events and fewer snowmelt events, as projected for many mountainous headwater catchments. Our current estimates suggest that while riparian hollows provision ~5–20% of NO 3 - to the river network, they functionally act as inhibitors to upland NO 3 - reaching the stream. Our work linking transient hydrological conditions to numerical biogeochemical simulations is an important step in assessing N-retaining features relative to the watershed N budget and better understanding the role of small-scale features within watersheds.

54 ENVIRONMENTAL SCIENCES↗

Application of Data Science and Engineering

Metal additive manufacturing (AM) processes exhibit significant variability in the quality and properties of components that are produced. This variability has prevented the widespread adoption of AM in industry. The need for more advanced and descriptive process monitoring, part qualification, and process control has led to an increasing number of sensors on machines and subsequent data to analyze. Increasingly, data science principles are being leveraged in each of these domains in order to process this data and better understand the causes of variability and the corresponding quality inconsistencies that occur in additive manufacturing.

Halsey, William↗

Energy Efficient Material Processing through Automated Process Monitoring and Controls

Smart manufacturing is bound to play a crucial role in reducing global energy consumption while accelerating economic development. This phenomenon is evident in advanced sensing technology developments, data analytics and machine learning/AI, automated controls, cloud computing, etc. The immediate opportunity for smart manufacturing is to improve the energy efficiency of manufacturing operations through innovations in processes and controls. The manufacturing industry still consumes about 30% of total global energy production, which is significant. This program focused on the recommendation of heterogeneous sensors to monitor the Chemical Vapor Infiltration (CVI) process parameters, states, and key performance indices and utilize cloud computing to sort and analyze the real-time data. Learning through data analytics helps guide the control parameters affecting energy usage. The target process in the program is the CVI process at the Honeywell South Bend facility, which is one of the most energy-intensive manufacturing industries.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Revealing functional insights into ER proteostasis through proteomics and interactomics

The endoplasmic reticulum (ER), responsible for processing approximately one-third of the human proteome including most secreted and membrane proteins, plays a pivotal role in protein homeostasis (proteostasis). Dysregulation of ER proteostasis has been implicated in a number of disease states. As such, continued efforts are directed at elucidating mechanisms of ER protein quality control which are mediated by transient and dynamic protein-protein interactions with molecular chaperones, co-chaperones, protein folding and trafficking factors that take place in and around the ER. Technological advances in mass spectrometry have played a pivotal role in characterizing and understanding these protein-protein interactions that dictate protein quality control mechanisms. Here, we highlight the recent progress from mass spectrometry-based investigation of ER protein quality control in revealing the topological arrangement of the proteostasis network, stress response mechanisms that adjust the ER proteostasis capacity, and disease specific changes in proteostasis network engagement. We close by providing a brief outlook on underexplored areas of ER proteostasis where mass spectrometry is a tool uniquely primed to further expand our understanding of the regulation and coordination of protein quality control processes in diverse diseases.

60 APPLIED LIFE SCIENCES↗

OWL Release Process

The Online Waste Library (OWL) provides one consolidated source of information on Department of Energy-managed wastes likely to require deep geologic disposal. With the release of OWL Version 1.0 in fiscal year (FY) 2019, much of the FY2020 work involved developing the OWL change control process and the OWL release process. These two processes (in draft form) were put into use for OWL Version 2.0, which was released in early FY2021. With the knowledge gained, the OWL team refined and documented the two processes in two separate reports. This report addresses the release process starting with a definition of release management in Section 2. Section 3 describes the Information Technology Infrastructure Library (ITIL) framework, part of which includes the three different environments used for release management. Section 4 presents the OWL components existing in the different environments and provides details on the release schedule and procedures.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Extended Sleeve Products Allow Control and Monitoring of Process Fluid Flows Inside Shielding, Behind Walls and Beneath Floors - 13041

Throughout power generation, delivery and waste remediation, the ability to control process streams in difficult or impossible locations becomes increasingly necessary as the complexity of processes increases. Example applications include radioactive environments, inside concrete installations, buried in dirt, or inside a shielded or insulated pipe. In these situations, it is necessary to implement innovative solutions to tackle such issues as valve maintenance, valve control from remote locations, equipment cleaning in hazardous environments, and flow stream analysis. The Extended Sleeve family of products provides a scalable solution to tackle some of the most challenging applications in hazardous environments which require flow stream control and monitoring. The Extended Sleeve family of products is defined in three groups: Extended Sleeve (ESV), Extended Bonnet (EBV) and Instrument Enclosure (IE). Each of the products provides a variation on the same requirements: to provide access to the internals of a valve, or to monitor the fluid passing through the pipeline through shielding around the process pipe. The shielding can be as simple as a grout filled pipe covering a process pipe or as complex as a concrete deck protecting a room in which the valves and pipes pass through at varying elevations. Extended Sleeves are available between roughly 30 inches and 18 feet of distance between the pipeline centerline and the top of the surface to which it mounts. The Extended Sleeve provides features such as ± 1.5 inches of adjustment between the pipeline and deck location, internal flush capabilities, automatic alignment of the internal components during assembly and integrated actuator mounting pads. The Extended Bonnet is a shorter fixed height version of the Extended Sleeve which has a removable deck flange to facilitate installation through walls, and is delivered fully assembled. The Instrument Enclosure utilizes many of the same components as an Extended Sleeve, yet allows the installation of process monitoring instruments, such as a turbidity meter to be placed in the flow stream. The basis of the design is a valve body, which, rather than having a directly mounted bonnet has lengths of concentric pipe added, which move the bonnet away from the valve body. The pipe is conceptually similar to an oil field well, with the various strings of casing, and tubing installed. Each concentric pipe provides a required function, such as the outermost pipes, the valve sleeve and penetration sleeve, which provide structural support to the deck flange. For plug valve based designs, the next inner pipe provides compression on the environmental seals at the top of the body to bonnet joint, followed by the innermost pipe which provides rotation of the plug, in the same manner as an extended stem. Ball valve ESVs have an additional pipe to provide compressive loading on the stem packing. Due to the availability of standard pipe grades and weights, the product can be configured to fit a wide array of valve sizes, and application lengths, with current designs as short as seven inches and as tall as 18 feet. Central to the design is the requirement for no special tools or downhole tools to remove parts or configure the product. Off the shelf wrenches, sockets or other hand tools are all that is required. Compared to other products historically available, this design offers a lightweight option, which, while not as rigidly stiff, can deflect compliantly under extreme seismic loading, rather than break. Application conditions vary widely, as the base product is 316 and 304 stainless steel, but utilizes 17-4PH, and other allows as needed based on the temperature range and mechanical requirements. Existing designs are installed in applications as hot as 1400 deg. F, at low pressure, and separately in highly radioactive environments. The selection of plug versus ball valve, metal versus soft seats, and the material of the seals and seats is all dependent on the application requirements. The design of the Extended Sleeve family of products provides a platform which solves a variety of accessibility problems associated with controlling process flow streams in remote, hard to reach locations in harsh environments. Installation of the equipment described has shown to allow access to flow streams that otherwise would require exceptional means to access and control. The Extended Sleeve family of products provides a scalable solution to both control and monitor process fluid flow through shielding, walls or floors when direct connection is advantageous. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Role of filament annealing in the kinetics and thermodynamics of nucleated polymerization

The formation of nanoscale protein filaments from soluble precursor molecules through nucleated polymerization is a common form of supra-molecular assembly phenomenon. This process underlies the generation of a range of both functional and pathological structures in nature. Filament breakage has emerged as a key process controlling the kinetics of the growth reaction since it increases the number of filament ends in the system that can act as growth sites. In order to ensure microscopic reversibility, however, the inverse process of fragmentation, end-to-end annealing of filaments, is a necessary component of a consistent description of such systems. Here, we combine Smoluchowski kinetics with nucleated polymerization models to generate a master equation description of protein fibrillization, where filamentous structures can undergo end-to-end association, in addition to elongation, fragmentation, and nucleation processes. We obtain self-consistent closed-form expressions for the growth kinetics and discuss the key physics that emerges from considering filament fusion relative to current fragmentation only models. Furthermore, we study the key time scales that describe relaxation to equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Turnpike solutions of control problems in quantum systems

The model of a quantum system of interacting spins based on the Shrödinger equation with unbounded linear control is transformed to an equivalent derived system (known from the degenerate problems theory). It consists of a regular differential system with new control and description of impulse control modes. This reveals the general turnpike structure of control processes and allows to propose some effective algorithms of their investigation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗