Interatomic Interaction Models for Magnetic Materials:Recent Advances

Atomistic modeling is a widely employed theoretical method of computational materials science.It has found particular utility in the study of magnetic materials.Initially,magnetic empirical interatomic potentials or spinpolarized density functional theory(DFT)served as the primary models for describing interatomic interactions in atomistic simulations of magnetic systems.Furthermore,in recent years,a new class of interatomic potentials known as magnetic machine-learning interatomic potentials(magnetic MLIPs)has emerged.These MLIPs combine the computational efficiency,in terms of CPU time,of empirical potentials with the accuracy of DFT calculations.In this review,our focus lies on providing a comprehensive summary of the interatomic interaction models developed specifically for investigating magnetic materials.We also delve into the various problem classes to which these models can be applied.Finally,we offer insights into the future prospects of interatomic interaction model development for the exploration of magnetic materials.

Yellowstone Region Drainage History as Determined from the 1955 Ashton, Idaho, Montana, and Wyoming 1:250,000 Scale Topographic Map, USA

The United States Geological Survey (USGS) 1955 (revised in 1972) Ashton topographic map (Ashton map) with a 1:250,000 scale and a 200-foot (about 60-meter) contour interval covers almost all of Yellowstone National Park and some adjacent regions to the south and west. In spite of numerous publications discussing Yellowstone region geologic history the drainage system and erosional landform evidence on the Ashton map appears to have been ignored. Drainage divides identifiable on the Ashton map separate the north-oriented Yellowstone, Gallatin, Madison, and Jefferson River drainage basins (which are located to the north and east of the continental divide with their water flowing to the Missouri River and ultimately the Gulf of Mexico) from the south-oriented Snake River drainage basin (with its water eventually reaching the Pacific Ocean). The Ashton map shows water-eroded passes and through valleys which link diverging and converging valleys which drain in opposite directions from the continental divide. These diverging and converging valleys suggest large volumes of south-oriented water once flowed across the Yellowstone region continental divide and some other Ashton map drainage divides. The accepted geology and glacial history paradigm (accepted paradigm) cannot satisfactorily explain the Ashton map drainage system and erosional landform evidence, which may be why geomorphologists have never addressed the map evidence. A new and fundamentally different geology and glacial history paradigm requiring the Yellowstone region to be located on the rim of a continental ice sheet created and occupied deep “hole” (which was uplifted as immense meltwater floods flowed across it) explains Ashton map drainage system and erosional landform evidence, but raises questions about previously published Yellowstone region geologic histories.

William Morris Davis: Father of Geomorphology or Father of Geology’s Unrecognized Paradigm Problem

An often unrecognized problem is the geology and glacial history paradigm’s inability to explain topographic map drainage system and erosional landform evidence, which means geology research studies rarely address that type of topographic map evidence. The problem originated in the late 19th century with William Morris Davis who is sometimes called the father of geomorphology and was one of the first geologists to interpret what in the late 19th century were newly available topographic maps. An 1889 Davis paper describes selected drainage system evidence observed on an advance copy of the 1890 Doylestown (Pennsylvania) topographic map and an 1892 Ward paper written after discussions with Davis describes additional selected drainage system evidence seen on the same map. Both papers fail to mention the majority of the Doylestown map’s drainage system features including most barbed tributaries, asymmetric drainage divides, and through (dry) valleys crossing major drainage divides. Had Davis used all of the map’s drainage system and erosional landform evidence he should have recognized the map evidence shows headward erosion of an east-oriented Neshaminy Creek valley captured southwest-oriented streams which headward erosion of the south-oriented Delaware River valley and its east-oriented tributary Tohickon Creek valley had beheaded. Consciously or unconsciously, Davis chose not to alert future investigators that Doylestown topographic map evidence did not support his yet-to-be-published Pennsylvania and New Jersey erosion history interpretations and instead Davis proceeded to develop and promote erosion history interpretations which the map evidence did not support.

Use of the 1893 Cranberry, North Carolina Topographic Map to Determine Blue Ridge Escarpment Area Drainage System and Erosional Landform Origins, USA

A new and fundamentally different geology and glacial history paradigm (new paradigm) is used to interpret previously ignored and unexplained drainage system and erosional landform evidence shown on the 1893 United States Geological Survey Cranberry, North Carolina 1:125,000 scale topographic map (which has a 100-foot or about a 30-meter contour interval). In most regions including the Cranberry map area, geomorphologists have never been able to use the accepted geology and glacial history paradigm (accepted paradigm) to explain most of the topographic map drainage system and erosional landform evidence. Probably for that reason, drainage system and erosional landform evidence shown on the 1893 Cranberry topographic map and its adjacent topographic maps has been ignored for 130 years. This study demonstrates how a new geology and glacial history paradigm (new paradigm) which was developed by using Great Plains and Rocky Mountain topographic map evidence explains the 1893 Cranberry map drainage system and erosional landform evidence (and similar evidence from a small area on the adjacent 1905 Morgantown map). The new paradigm sees the Cranberry map area as being located along the southeastern rim of a continental ice sheet created and occupied deep “hole” with regional erosion occurring and present-day drainage systems developing when the headward erosion of southeast-oriented valleys from the Atlantic Ocean and of northwest-oriented valleys from the developing deep “hole” into the gradually rising deep “hole” rim captured massive and prolonged south- and southwest-oriented meltwater floods. The new paradigm permits explanations for most drainage divides, named and unnamed gaps, barbed tributaries, through valleys extending across drainage divides, isolated erosional remnants, diverging and converging valleys, and unusual river and stream direction changes which the 1893 Cranberry topographic map shows.

Use of Stream and Dismembered Stream Valleys Now Crossing Wyoming’s Northern Laramie Mountains to Test a Recently Proposed Regional Geomorphology Paradigm, USA

Detailed topographic maps show multiple stream valleys and what are probably dismembered stream valleys that extend completely across Wyoming’s northern Laramie Mountains. Several of the most obvious valleys are described with valley origins first explained (or attempted to be explained) from the commonly accepted regional geomorphology paradigm (accepted paradigm) perspective and second from a recently proposed regional geomorphology paradigm (new paradigm) perspective in an effort to determine which of the two paradigms provides the simplest explanations. Accepted paradigm explanations require at least some of the valley erosion to have occurred prior to deposition of Oligocene and Miocene sediments that once covered the northern Laramie Mountains (with some of the exhumed valleys now containing sediment cover remnants). In contrast the fundamentally different new paradigm requires immense south-oriented continental ice sheet melt water floods to have crossed the region as ice sheet related crustal warping raised the region and the Laramie Mountains (and implies sediments now partially filling some of the valleys are probably flood deposited materials). The new paradigm provides simpler explanations for the origins of the valleys now extending completely across the northern Laramie Mountains and also for their related barbed tributaries, truncated side valleys, and drainage route U-turns than the accepted paradigm, although the new paradigm also leads to a fundamentally different middle and late Cenozoic regional geologic history than is currently recognized. One paradigm cannot be used to judge a different paradigm, but the paradigms can be compared based on their ability to explain evidence and Occam’s Razor can determine which of the two paradigms provides the simplest explanations. New paradigm explanations for northern Laramie Mountains valley origins investigated here require fewer assumptions than the accepted paradigm explanations suggesting the new paradigm merits serious future consideration.

Yampa River-Colorado River Drainage Divide Origin Determined from Topographic Map Evidence, Southern Routt County, Colorado, USA

Detailed topographic map evidence and a new Cenozoic geologic and glacial history paradigm are used to determine the previously unexplained Yampa River-Colorado River drainage divide origin. The Yampa River now flows in a north direction away from the Colorado River (between the Park Range to the east and the Flat Tops region to the west) before turning in a west direction to reach the Unita Mountains where it joins the south-oriented Green River, which eventually joins the southwest-oriented Colorado River. Topographic maps show the Yampa-Colorado River drainage divide is asymmetric with steeper slopes leading to the Colorado River, barbed (south-oriented) tributaries leading to north-oriented Yampa River headwaters (especially near the Yampa River turn to the west), and evidence of a large north-to-south oriented diverging and converging channel complex that preceded present-day drainage routes. Map evidence is interpreted to mean massive south-oriented floods flowed through what are now north-oriented Yampa River headwaters valleys and that headward erosion of a deep west-oriented valley beheaded and reversed those south-oriented flood flow channels to create the north-oriented Yampa River headwaters and the Egeria Park area Yampa-Colorado River drainage divide seen today. Large south-oriented floods leading to the Colorado River (while regional uplift was occurring) are inconsistent with accepted Cenozoic geologic and glacial history paradigm predictions, but are predicted by a newly proposed Cenozoic geologic and glacial history paradigm in which a thick continental ice sheet created a deep “hole” by eroding underlying bedrock and also by causing crustal warping that raised the present-day northern Colorado east-west continental divide as immense south-oriented meltwater floods flowed across it.

How a New Geology and Glacial Paradigm Explains Colorado South Platte-Arkansas River Drainage Divide Topographic Map Evidence, USA

United States Geological Survey (USGS) topographic maps (available at the USGS National Map website) are used to determine development of the asymmetric South Platte River drainage basin (south of Denver) by noting low points (referred to as divide crossings) where south-oriented floodwater channels once crossed the South Platte-Arkansas River drainage divide. Twelve groups of observed divide crossings are described most of which show evidence for flood-formed diverging and converging channels including where divide crossings are cut across Thirtynine Mile volcanic field ejectamenta. A new Cenozoic geologic and glacial history paradigm requires southeast- and south-oriented floods to have flowed across what is now the east-west continental divide to reach the southeast-oriented Arkansas River valley and to have eroded the divide crossings before north-oriented South Platte River valley headward erosion captured the flow. Such floods are not consistent with accepted Cenozoic geologic and glacial history interpretations, but are consistent with new paradigm interpretations (developed to explain Missouri River drainage basin topographic map drainage system evidence) in which a thick continental ice sheet (located where large continental ice sheets are usually reported to have been) deeply eroded the underlying bedrock and caused crustal uplift to create a deep “hole” with a deep “hole” rim segment roughly following today’s Wyoming and northern Colorado east-west continental divide and then continuing eastward along what is now the Missouri-Arkansas River drainage divide. The new paradigm results in a Cenozoic geologic and glacial history in which immense south-oriented continental ice sheet meltwater floods first flowed in a south direction across the rising deep “hole” rim and were then forced by rim uplift to flow along the rim and subsequently in north directions into the developing deep “hole”.

How a New Cenozoic Geology and Glacial History Paradigm Explains Topographic Map Drainage System and Erosional Landform Evidence: Elbert and Lincoln Counties, Colorado, USA

Detailed topographic map drainage system and erosional landform evidence such as drainage route orientations, drainage divides, divide crossings (low points on drainage divides), erosional escarpments, and similar features in the east central Colorado Elbert and Lincoln County region are considered as pieces of a complex but solvable drainage history puzzle. A satisfactory solution to date has eluded investigators who have worked from the accepted Cenozoic geology and glacial history paradigm (accepted paradigm) perspective in which climatic and tectonic factors operating over long time periods lead to what might be considered to be a randomly determined regional drainage history. A new and fundamentally different Cenozoic geology and glacial history paradigm (new paradigm) in which immense and prolonged south-oriented continental ice sheet meltwater floods flowed across the Elbert and Lincoln County area which at that time was near the rising rim surrounding a thick continental icesheet created and occupied deep “hole”. Map evidence documents how northeast-oriented Republican River headwaters valleys eroded headward across must have been large southeast-oriented floods probably moving toward what at that time would have been an actively eroding and deep east-oriented Arkansas River valley head and how those massive southeast-oriented floods subsequently lowered the Colorado Piedmont surface before being beheaded and reversed when the deep northeast- and east-oriented South Platte River valley eroded headward to create in an identifiable sequence (from east to west) what are now long north-oriented South Platte River tributaries. New paradigm predicted massive and prolonged south-oriented meltwater floods flowing across what must have been a rising region explains much, if not all of the Elbert and Lincoln County detailed topographic map drainage system and erosional landform evidence.

How a New Cenozoic Geology and Glacial History Paradigm Explains Arkansas-Red River Drainage Divide Area Topographic Map Evidence in and near Pontotoc County, Oklahoma, USA

A new Cenozoic geology and glacial history paradigm (new paradigm), fundamentally different from the accepted Cenozoic geology and glacial history paradigm (accepted paradigm), describes a thick North American continental icesheet (located where continental icesheets are usually reported to have been) which by deep erosion and uplift of surrounding regions created and occupied a deep “hole” (the accepted paradigm does not see this thick ice sheet or the deep “hole”). Unusual erosional landform features in the southeast Oklahoma Pontotoc County region including the asymmetric Canadian-Red River drainage divide, a large escarpment-surrounded basin in which most south-oriented Clear Boggy Creek headwaters begin, and a large escarpment-surrounded upland on which the south-oriented Blue River begins, are used to test the new paradigm’s ability to use large and prolonged south-oriented melt water floods to explain previously unexplained or poorly explained detailed topographic map drainage system and erosional landform evidence. Numerous low points (referred to as divide crossings) indicate large and prolonged south-oriented melt water floods did flow across what is now the Canadian-Red River drainage divide (an interpretation also consistent with Clear Boggy Creek escarpment-surrounded basin and Blue River escarpment-surrounded upland shapes). The new paradigm described massive and prolonged melt water floods also account for previously unrecognized deep regional erosion (which is determinable from detailed topographic map evidence). East-oriented Canadian River valley headward erosion (from the Arkansas River valley) diverted the long-lived south-oriented meltwater floods to the Arkansas River valley and to what ultimately became the deep “hole’s” only southern exit. Previous southeast Oklahoma drainage history interpretations (made from the accepted paradigm perspective in which Rocky Mountain glacier melt water flowed to east-oriented rivers) do not provide adequate water volumes or flow directions to explain the detailed topographic map drainage system and erosional landform evidence, which the new paradigm’s massive and prolonged south-oriented melt water floods do explain.

Treg cells in pancreatic lymph nodes： the possible role in diabetogenesis and βcell regeneration in a TID model

Previously, we established a model in which physiologically adequate function of the autologous β cells was recovered in non-obese diabetic （NOD） mice after the onset of hyperglycemia by rendering them hemopoietic chimera. These mice were termed antea-diabetic. In the current study, we addressed the role of T regulatory （Treg） cells in the mechanisms mediating the restoration of euglycemia in the antea-diabetic NOD model. The data generated in this study demonstrated that the numbers of Treg cells were decreased in unmanipulated NOD mice, with the most profound deficiency detected in the pancreatic lymph nodes （PLNs）. The impaired retention of the Treg cells in the PLNs correlated with the locally compromised profile of the chemokines involved in their trafficking, with the most prominent decrease observed in SDF-1. The amelioration of autoimmunity and restoration of euglycemia observed in the antea-diabetic mice was associated with restoration of the Treg cell population in the PLNs. These data indicate that the function of the SDF-1/CXCR4 axis and the retention of Treg cells in the PLNs have a potential role in diabetogenesis and in the amelioration of autoimmunity and β cell regeneration in the antea-diabetic model. We have demonstrated in the antea-diabetic mouse model that lifelong recovery of the β cells has a strong correlation with normalization of the Treg cell population in the PLNs. This finding offers new opportunities for testing the immunomodulatory regimens that promote accumulation of Treg cells in the PLNs as a therapeutic approach for type 1 diabetes （TID）.